SCHEMBL3027615

SCHEMBL3027615

Nc1cccnc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ADORA2A P29274 5/20 0.42
ADORA1 P30542 3/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41

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
SCHEMBL29793378 1.00 CNR2 (0.46) CNR2ALDH1A1HSD17B10CDK5CDK5R1
Hydrochloric Acid SCHEMBL6143189 0.98 CNR2 (0.45) CNR2ALDH1A1HSD17B10CDK5CDK5R1
SCHEMBL15555168 0.89 CYP2A6 (0.50) CNR2CDK5CDK5R1KDM4ESMN1; SMN2
SCHEMBL30271812 0.84 CNR2 (0.45) CNR2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL18034668 0.84 CNR2 (0.45) CNR2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1083427 0.83 HSP90AA1 (0.45) CNR2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL29535498 0.83 HSP90AA1 (0.45) CNR2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL30269979 0.81 CYP2A6 (0.61) CNR2ALDH1A1HSD17B10CDK5CDK5R1
SCHEMBL29807525 0.81 CYP2A6 (0.61) CNR2ALDH1A1HSD17B10CDK5CDK5R1
SCHEMBL1369508 0.81 CYP2A6 (0.61) CNR2ALDH1A1HSD17B10CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456756-A Epoxy resin underfill 惠州市飞世尔实业有限公司 2022-05-10 CN claimed
CN-111206260-B Electrochemical synthesis method of pyrido [1,2-a ] benzimidazole compound 齐鲁工业大学 2022-03-22 CN claimed
CN-111206260-A Electrochemical synthesis method of pyrido [1,2-a ] benzimidazole compound 齐鲁工业大学 2020-05-29 CN claimed
CN-108178763-A A kind of organic electroluminescent compounds and the organic electroluminescence device using the compound 南京高光半导体材料有限公司 2018-06-19 CN claimed
CN-108101896-A A kind of organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2018-06-01 CN claimed
CN-107936957-A Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2018-04-20 CN claimed
JP-2006523205-A 2006-10-12 JP claimed
US-6995270-B2 Hydrogenation process PFIZER INC (US) 2006-02-07 US claimed
EP-1606257-A1 SYNTHESIS OF ARYL-SUBSTITUTED PIPERIDINES BY HYDROGENATION OF ARYL-SUBSTITUTED PYRIDINES Pfizer Products Inc. (US) 2005-12-21 EP claimed
EP-1054002-B1 Process for preparing 2-phenyl-3-aminopyridine, substituted phenyl derivatives thereof, and salts thereof PFIZER PROD INC (US) 2005-10-12 EP claimed
WO-2004083181-A1 SYNTHESIS OF ARYL-SUBSTITUTED PIPERIDINES BY HYDROGENATION OF ARYL-SUBSTITUTED PYRIDINES PFIZER PRODUCTS INC. (US) 2004-09-30 WO claimed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US claimed
US-6316632-B1 REACTING 2-CHLORO-3-AMIDO OR 3-IMINOPYRIDINE WITH PHENOL DERIVATIVE IN PRESENCE OF BASE AND PALLADIUM CATALYST TO FORM 2-PHENYL-3-AMIDO OR 3-AMINOPYRIDINE PFIZER INC 2001-11-13 US claimed
CN-1288005-A Method for preparing 2-phenyl-3-aminopyridine, and the substituled phenyl derivatives and salts thereof PFIZER PRODUCTS CORP (US) 2001-03-21 CN claimed
EP-1054002-A1 Process for preparing 2-phenyl-3-aminopyridine, substituted phenyl derivatives thereof, and salts thereof Pfizer Products Inc. (US) 2000-11-22 EP claimed
EP-0594636-B1 3-AMINOPIPERIDINE DERIVATIVES AND RELATED NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1998-01-21 EP claimed
EP-0207241-B1 FABRIC INK RIBBON Pelikan Aktiengesellschaft (DE) 1991-04-10 EP claimed
US-4773778-A Fabric printer ribbon comprising a liquid vehicle containing a decolorizable Lewis acid/Lewis base complex PELIKAN AKTIENGESELLSCHAFT (DE) 1988-09-27 US claimed
EP-0207241-A1 Fabric ink ribbon Pelikan Aktiengesellschaft (DE) 1987-01-07 EP 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 (1 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 CNR2 4447/4885ALDH1A1 947/4885HSD17B10 3799/4885

“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.