SCHEMBL186905

SCHEMBL186905

[c]1nnccc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TP53 P04637 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
ALOX15 P16050 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43

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
SCHEMBL20239664 0.78 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL317129 0.76 GOT1 (0.32) TP53
SCHEMBL2372190 0.74 HSP90AA1 (0.34) HSP90AA1MAPT
SCHEMBL40492 0.73 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL155358 0.73 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5974288 0.73 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL558469 0.72 NOTUM (0.37) NPC1RAB9AALOX15SMN1; SMN2MAPK1
Dipyridyl SCHEMBL14841487 0.72 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8

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 249 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183184-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 US 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 claimed
EP-3649110-B1 MYCOBACTERIUM-TUBERCOLOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS ANTITUBERCULOSIS DRUG UNIV DORTMUND TECH (DE) 2021-09-08 EP claimed
US-20210214315-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-07-15 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-20200399226-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2020-12-24 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-3722283-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP claimed
US-10793528-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives Grünenthal GmbH (DE) 2020-10-06 US claimed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US claimed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO claimed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US claimed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP claimed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US claimed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US claimed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO claimed
US-6656941-B2 Aryl substituted tetrahydroindazoles NEUROGEN CORPORATION 2003-12-02 US claimed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP claimed
US-5602135-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ARTHEROSCLEROSIS,IMMUNOLOGY, WOUND HEALING AGENT, VISION DEFECTS, SUNSCREEN AGENTS ALLERGAN 1997-02-11 US claimed

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

For each of this compound's patents that has machine-readable text (12 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 KDM4E 367/4885LMNA 1542/4885CCR1 2738/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 KDM4E 1465/4885LMNA 1276/4885CCR1 349/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885LMNA 2215/4885CCR1 1920/4885
US-20210214315-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KDM4E 1899/4885LMNA 2706/4885CCR1 471/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 KDM4E 4075/4885LMNA 4000/4885CCR1 558/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 KDM4E 1465/4885LMNA 1276/4885CCR1 349/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 KDM4E 1465/4885LMNA 1276/4885CCR1 349/4885
US-20230183184-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 KDM4E 1357/4885LMNA 1226/4885CCR1 366/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT KDM4E 3897/4885LMNA 4225/4885CCR1 1654/4885
US-20200399226-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KDM4E 1899/4885LMNA 2706/4885CCR1 471/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 KDM4E 1465/4885LMNA 1276/4885CCR1 349/4885
US-10793528-B2 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 KDM4E 1899/4885LMNA 2706/4885CCR1 471/4885

“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.