SCHEMBL475336

SCHEMBL475336

Cn1ncc2c[c]ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ TCF7 P36402 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ TRPM5 Q9NZQ8 1/20 0.34
▸ MAOB P27338 3/20 0.33
▸ APP P05067 1/20 0.33
▸ NOTUM Q6P988 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ PDE1C Q14123 1/20 0.31
▸ ERCC1 P07992 1/20 0.31
▸ ERCC4 Q92889 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ AR P10275 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL25392656 0.87 — —
SCHEMBL282391 0.84 CYP1A2 (0.35) TRPA1CYP1A2CTNNB1TCF7CDC7
SCHEMBL3483616 0.78 CYP1A2 (0.45) CYP1A2PDE1C
SCHEMBL16097020 0.77 CYP1A2 (0.30) CYP1A2
SCHEMBL20764857 0.77 KCNH2 (0.31) —
SCHEMBL7350869 0.76 CYP1A2 (0.35) CYP1A2CTNNB1
SCHEMBL20719525 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL5400766 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL16617337 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL20764861 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 — — WO claimed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 — — US claimed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 — — US claimed
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-26 — — US claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 — — US claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 — — EP claimed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP claimed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 — — CN claimed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 — — CN 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
JP-2006516145-A — — 2006-06-22 — — JP 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-2006000400-A1 SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-05 — — WO claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 — — US claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 — — EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 — — WO claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 — — EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 — — US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 — — 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-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 TRPA1 1628/4885CYP1A2 196/4885CTNNB1 2847/4885
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 TRPA1 562/4885CYP1A2 4391/4885CTNNB1 2820/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT TRPA1 1962/4885CYP1A2 208/4885CTNNB1 3117/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP TRPA1 1419/4885CYP1A2 634/4885CTNNB1 2010/4885
US-11851449-B2 Heterocyclic amide compounds having an RORvt inhibitory action RORB, RORC, RORA TRPA1 337/4885CYP1A2 358/4885CTNNB1 965/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP TRPA1 1434/4885CYP1A2 618/4885CTNNB1 1989/4885

“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.

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