SCHEMBL1830802

SCHEMBL1830802

[c]1nc(-c2cnccn2)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
PIM1 P11309 2/20 0.36
NISCH Q9Y2I1 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BAZ2B Q9UIF8 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29454745 0.75 NISCH (0.50) CYP1A2PIM1NISCHCYP2D6CYP19A1
SCHEMBL78566 0.75 NISCH (0.50) CYP1A2PIM1NISCHCYP2D6CYP19A1
SCHEMBL29598957 0.75 NISCH (0.50) CYP1A2PIM1NISCHCYP2D6CYP19A1
SCHEMBL14053846 0.72 NISCH (0.48) CYP1A2PIM1NISCHCYP2D6CYP19A1
Hydrochloric Acid SCHEMBL3640139 0.72 NISCH (0.48) CYP1A2PIM1NISCHCYP2D6CYP19A1
SCHEMBL31372462 0.72 NISCH (0.48) CYP1A2PIM1NISCHCYP2D6CYP19A1
SCHEMBL9794662 0.72 NISCH (0.48) CYP1A2PIM1NISCHCYP2D6CYP19A1
SCHEMBL536974 0.72 KDM4E (0.56) CYP1A2CYP19A1HTTKDM4EHSP90AA1
Hydrochloric Acid SCHEMBL30272980 0.70 NISCH (0.46) CYP1A2PIM1NISCHCYP2D6CYP19A1
SCHEMBL1387640 0.69 CYP19A1 (0.50) CYP1A2CYP19A1CYP2C9CYP2C19HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US claimed
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 US claimed
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 US claimed
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 US claimed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP claimed
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-11 US claimed
EP-3402785-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2018-11-21 EP claimed
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-10-04 US claimed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO claimed
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
WO-2009018844-A1 THIAZOLE-PIPERIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES ORIDIS BIOMED FORSCHUNGS- UND ENTWICKLUNGS GMBH (AT) 2009-02-12 WO claimed
EP-1832585-A1 Thiazole-piperidine derivatives for treatment of hyperproliferative diseases ORIDIS BIOMED Forschungs- und Entwicklungs GmbH (AT) 2007-09-12 EP claimed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US claimed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US claimed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP claimed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 EP claimed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN, INC. (US) 1991-03-27 EP claimed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 US disclosed
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 US disclosed
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-20 US disclosed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2019-04-11 US disclosed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 US disclosed
EP-3402785-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2018-11-21 EP disclosed
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-10-04 US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 EP disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
WO-2016074683-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-19 WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO disclosed
WO-2009018844-A1 THIAZOLE-PIPERIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES ORIDIS BIOMED FORSCHUNGS- UND ENTWICKLUNGS GMBH (AT) 2009-02-12 WO disclosed
EP-1832585-A1 Thiazole-piperidine derivatives for treatment of hyperproliferative diseases ORIDIS BIOMED Forschungs- und Entwicklungs GmbH (AT) 2007-09-12 EP disclosed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 EP disclosed
US-5705502-A Pharmacologically active pyrimidineamine derivatives and processes for the preparation thereof NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
EP-0237781-B1 PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
EP-0237781-B1 PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 CYP1A2 4541/4885PIM1 406/4885NISCH 3333/4885
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 CYP1A2 573/4885PIM1 3484/4885NISCH 2460/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885PIM1 3484/4885NISCH 2460/4885
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 CYP1A2 573/4885PIM1 3484/4885NISCH 2460/4885
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885PIM1 3484/4885NISCH 2460/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885PIM1 3484/4885NISCH 2460/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885PIM1 3484/4885NISCH 2460/4885
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 CYP1A2 117/4885PIM1 1857/4885NISCH 2051/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885PIM1 3484/4885NISCH 2460/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 CYP1A2 101/4885PIM1 1705/4885NISCH 2166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.