SCHEMBL4452760

SCHEMBL4452760

[c]1n[nH]cc1-c1ccon1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.31
CHRM1 P11229 1/20 0.30

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
SCHEMBL3082762 0.68 NPC1 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL223116 0.68 CYP1A2 (0.32) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL8344238 0.67 MDM2 (0.32) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3674913 0.65 KDM4E (0.33) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4794205 0.65 CYP1A2 (0.30) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3759300 0.65 MDM2 (0.31) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4670402 0.65
Methoxymethane SCHEMBL27908243 0.65 RAB9A (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27647008 0.64 CYP1A2 (0.35) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL467328 0.63 MDM2 (0.35) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 43 patents — showing the first 20. 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
WO-2023275796-A1 HETEROCYCLIC DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE 3 INHIBITORS NOVARTIS AG (CH) 2023-01-05 WO claimed
CN-108779075-B 3- (carboxymethyl) -8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivatives 格吕伦塔尔有限公司 2022-01-11 CN 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
US-20060128608-A1 Novel chemical compounds and their use BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2006-06-15 US claimed
WO-2005035500-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-04-21 WO claimed
CN-1349381-A Sulfonamide derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-15 CN claimed
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-27 US claimed
US-20230365880-A1 Polyetheramine Salts and Their Use as Corrosion Inhibitors and Friction Reducers HUNTSMAN PETROCHEMICAL LLC 2023-11-16 US disclosed
EP-4214157-A1 POLYETHERAMINE SALTS AND THEIR USE AS CORROSION INHIBITORS AND FRICTION REDUCERS Huntsman Petrochemical LLC (US) 2023-07-26 EP disclosed
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-27 US disclosed
US-6245769-B1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone(CRH) antagonists, useful for treating CNS and stress-related disorders DUPONT PHARMACEUTICALS COMPANY 2001-06-12 US 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 (9 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-20060128608-A1 Novel chemical compounds and their use PGLS, ABCG2, UGCG CYP1A2 159/4885CYP2D6 48/4885CYP19A1 2315/4885
US-20190106430-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 CYP1A2 573/4885CYP2D6 380/4885CYP19A1 1751/4885
US-20200399280-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885CYP2D6 380/4885CYP19A1 1751/4885
US-20180282341-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, PKD2 CYP1A2 573/4885CYP2D6 380/4885CYP19A1 1751/4885
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885CYP2D6 380/4885CYP19A1 1751/4885
US-10807989-B2 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885CYP2D6 380/4885CYP19A1 1751/4885
US-20210179627-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885CYP2D6 380/4885CYP19A1 1751/4885
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders CRH, CRHR1, CRHR2 CYP1A2 3247/4885CYP2D6 3255/4885CYP19A1 3390/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 CYP1A2 573/4885CYP2D6 380/4885CYP19A1 1751/4885

“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.