SCHEMBL282391

SCHEMBL282391

Cn1ncc2cc[c]cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
NOTUM Q6P988 1/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
TRPA1 O75762 1/20 0.33
CDK8 P49336 2/20 0.31
PDE1C Q14123 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7 P36402 1/20 0.31
CDC7 O00311 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
CCNC P24863 1/20 0.31
CYP11B2 P19099 1/20 0.31
MPO P05164 1/20 0.31
MAOB P27338 1/20 0.31
GRM4 Q14833 1/20 0.30
APP P05067 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
SCHEMBL475336 0.84 TRPA1 (0.36) CYP1A2NOTUMERCC1ERCC4TRPA1
SCHEMBL18729466 0.81 NOTUM (0.44) NOTUMERCC1ERCC4CDK8PDE1C
SCHEMBL16097284 0.77 CYP1A2 (0.30) CYP1A2
SCHEMBL16617331 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL20719280 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL16616813 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL188240 0.76 CYP1A2 (0.39) CYP1A2NOTUMPDE1CCYP11B2
SCHEMBL15661728 0.76 KMO (0.33) PDE1C
SCHEMBL16616854 0.73 CYP1A2 (0.37) CYP1A2
SCHEMBL19127653 0.73 CYP1A2 (0.41) CYP1A2MPOMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 EP claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP claimed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN claimed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 EP claimed
CN-116234546-A GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases 嘉兴优博生物技术有限公司 2023-06-06 CN claimed
US-20230062491-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2023-03-02 US claimed
CN-114980887-A Fluoroalkyl-oxadiazoles and their use 特纳亚治疗股份有限公司 2022-08-30 CN claimed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US claimed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP claimed
JP-2007506717-A 2007-03-22 JP claimed
JP-2007501264-A 2007-01-25 JP claimed
EP-1673345-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2006-06-28 EP claimed
EP-1633748-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP claimed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO claimed
WO-2005030725-A1 DERIVATIVES OF 3-AMINOCARBONYLQUINOLINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION GLAXO GROUP LIMITED (GB) 2005-04-07 WO claimed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO 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 (6 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 CYP1A2 2567/4885NOTUM 2844/4885ERCC1 4484/4885
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 CYP1A2 196/4885NOTUM 4473/4885ERCC1 4622/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP1A2 634/4885NOTUM 1133/4885ERCC1 4216/4885
US-20230062491-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CYP1A2 2760/4885NOTUM 4392/4885ERCC1 3365/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 618/4885NOTUM 1138/4885ERCC1 4183/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A CYP1A2 82/4885NOTUM 1437/4885ERCC1 4004/4885

“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.