SCHEMBL8303438

SCHEMBL8303438

CCc1ccc2ccn(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
HTR7 P34969 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.45
FAAH O00519 1/20 0.42
PRKCI P41743 1/20 0.41
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PIK3CB P42338 1/20 0.38
TRPA1 O75762 1/20 0.38
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL8738295 0.84 PRKCI (0.55) CYP2A6HTR7CYP1A2FAAHPRKCI
SCHEMBL14473327 0.82 CYP2A6 (0.49) CYP2A6HTR7L3MBTL1FAAHPRKCI
SCHEMBL111470 0.82 CYP2A6 (0.49) CYP2A6HTR7L3MBTL1FAAHPRKCI
SCHEMBL6583538 0.82 CYP2A6 (0.49) CYP2A6HTR7L3MBTL1FAAHPRKCI
SCHEMBL25185804 0.82 CYP2A6 (0.49) CYP2A6HTR7L3MBTL1FAAHPRKCI
SCHEMBL24893952 0.81 HTR7 (0.38) CYP2A6HTR7L3MBTL1CYP1A2FAAH
Hydrochloric Acid SCHEMBL27898641 0.81 CYP2A6 (0.47) CYP2A6HTR7L3MBTL1FAAHPRKCI
SCHEMBL14402803 0.80 OXER1 (0.53) CYP2A6L3MBTL1KDM4E
SCHEMBL6945456 0.79 CYP2A6 (0.46) CYP2A6HTR7L3MBTL1FAAHPRKCI
SCHEMBL12373312 0.79 CYP2A6 (0.50) CYP2A6L3MBTL1FAAHPRKCICDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
EP-3265083-B1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDRENS RES HOSPITAL (US) 2022-07-06 EP disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
WO-2020036574-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I' PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 WO disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
US-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
WO-2007131350-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
EP-0915871-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
US-5891901-A ANTICARCINOGENIC AGENTS OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-04-06 US disclosed
WO-1998004553-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO 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 (8 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-20080171741-A1 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K1, MAP3K8, MAP3K20 CYP2A6 1569/4885HTR7 2112/4885L3MBTL1 3840/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB CYP2A6 740/4885HTR7 3859/4885L3MBTL1 1858/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CYP2A6 1651/4885HTR7 3018/4885L3MBTL1 914/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CYP2A6 1700/4885HTR7 3856/4885L3MBTL1 3800/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 CYP2A6 1353/4885HTR7 387/4885L3MBTL1 3715/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CYP2A6 1757/4885HTR7 2802/4885L3MBTL1 612/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB CYP2A6 740/4885HTR7 3859/4885L3MBTL1 1858/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CYP2A6 1651/4885HTR7 3018/4885L3MBTL1 914/4885

“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.