SCHEMBL58401

SCHEMBL58401

CCc1c[c]ccc1CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.33
GABRB2 P47870 4/20 0.33

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
SCHEMBL27460611 0.97 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL28321627 0.91 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL7300558 0.86 PRKCI (0.32)
SCHEMBL9798034 0.86 PRKCI (0.32)
SCHEMBL27428609 0.86 CYP4F2 (0.37) GABRA1GABRB2
SCHEMBL27260164 0.86 TAAR1 (0.31)
SCHEMBL2636670 0.86 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL27274084 0.86
SCHEMBL458360 0.82
SCHEMBL457593 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US claimed
WO-2021012478-A1 HYDROGENATION ANNULE [12] AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR 清华大学 2021-01-28 WO claimed
WO-2021012479-A1 HYDROGENATED CYCLIC [8] AROMATIC HYDROCARBON COMPOUND AND PREPARATION METHOD THEREFOR 清华大学 2021-01-28 WO claimed
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 CN claimed
EP-3038621-B1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RES INSTITUTE (US) 2020-12-02 EP claimed
CN-110372468-B Hydrogenated endless [8] arene compound and preparation method thereof 清华大学 2020-11-10 CN claimed
CN-110372469-B Hydrogenated cyclo [12] arene compound and preparation method thereof 清华大学 2020-09-08 CN claimed
CN-110551157-A bivalent platinum complex and preparation method and application thereof NANJING JIANUOLIN OPTOELECTRONIC TECH CO LTD 2019-12-10 CN claimed
CN-110372468-A Hydrogenate annulus [8] aromatic compound and preparation method thereof 清华大学 2019-10-25 CN claimed
CN-110372469-A Hydrogenate annulus [12] aromatic compound and preparation method thereof 清华大学 2019-10-25 CN claimed
WO-2007146977-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO claimed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
EP-1620447-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEM PATENTS INC (US) 2007-08-08 EP claimed
US-7169942-B2 agonists or antagonists; treatment for neuroinflammatory pathologies involving demyelinization, viral encephalitis, cerebrovascular accidents, cranial trauma, ocular disorders, pulmonary disorders, allergic diseases, inflammatory conditions, immune system disorders, central nervous system diseases, etc. UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-01-30 US claimed
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US claimed
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-12-02 US claimed
EP-0617005-B1 Triarylamine compound, process for producing the same and electrophotographic photoreceptor using the same FUJI XEROX CO LTD (JP) 2001-06-13 EP claimed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US claimed
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 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 (5 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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH GABRA1 3553/4885GABRB2 2730/4885
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR GABRA1 3633/4885GABRB2 3569/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 GABRA1 4588/4885GABRB2 3615/4885
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG GABRA1 3940/4885GABRB2 3219/4885
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 GABRA1 24/4885GABRB2 32/4885

“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.