SCHEMBL642086

SCHEMBL642086

O=C1CCCc2cc(Sc3cccc(F)c3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.54
MAOB P27338 9/20 0.54
PRKCI P41743 1/20 0.47
MAPK14 Q16539 3/20 0.46
CYP2A6 P11509 1/20 0.45
GRM5 P41594 2/20 0.44
HSD17B1 P14061 1/20 0.43
BAZ2B Q9UIF8 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39

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
SCHEMBL17362038 0.88 MAOA (0.53) MAOAMAOBPRKCIMAPK14CYP2A6
SCHEMBL315261 0.84 GRM5 (0.56) MAOAMAOBPRKCIMAPK14CYP2A6
SCHEMBL2513812 0.84 MAOA (0.42) MAOAMAOBPRKCIMAPK14CYP2A6
SCHEMBL17361535 0.82 MAOA (0.47) MAOAMAOBPRKCIMAPK14CYP2A6
SCHEMBL641843 0.82 MAOA (0.40) MAOAMAOBMAPK14KDM4CKDM4E
SCHEMBL17362073 0.80 PTGS2 (0.46) MAOAMAOBPRKCIMAPK14CYP2A6
SCHEMBL30558451 0.80 PTGS2 (0.46) MAOAMAOBPRKCIMAPK14CYP2A6
SCHEMBL10126099 0.80 NPC1 (0.43) KDM4C
SCHEMBL315877 0.79 MAOA (0.61) MAOAMAOBPRKCIMAPK14CYP2A6
SCHEMBL17361968 0.79 MAOA (0.53) MAOAMAOBPRKCICYP2A6GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed
CN-111909083-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2020-11-10 CN disclosed
CN-106660982-B Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2020-09-08 CN disclosed
US-10385047-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-08-20 US disclosed
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES DURKIN KIERAN (US) 2012-12-20 US disclosed
US-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US disclosed
US-8119842-B2 Process for synthesis of amino-methyl tetralin derivatives Roche Palo Alto LLP (US) 2012-02-21 US disclosed
EP-2379491-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010069778-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
WO-2010069778-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES ROCHE PALO ALTO LLC 2010-06-24 US 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 (3 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-20100160682-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 MAOA 2897/4885MAOB 2165/4885PRKCI 3208/4885
US-20120323040-A1 PROCESS FOR SYNTHESIS OF AMINO-METHYL TETRALIN DERIVATIVES PKN2, CCND2, PRMT1 MAOA 2990/4885MAOB 2178/4885PRKCI 3152/4885
US-10385047-B2 Histone demethylase inhibitors KDM1B, KDM6A, KDM1A MAOA 404/4885MAOB 517/4885PRKCI 1503/4885

“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.