SCHEMBL1646006

SCHEMBL1646006

CN(C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 1/20 0.45
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
KCNN4 O15554 1/20 0.36
AOC3 Q16853 3/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 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
SCHEMBL322574 0.82 TDP1 (0.45) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL2574194 0.78 MEN1 (0.42) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL14617914 0.78 CYP3A4 (0.41) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL17190347 0.78 TDP1 (0.41) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL4797776 0.77 TDP1 (0.45) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL14271678 0.76 TAAR1 (0.39) TDP1CYP3A4ALDH1A1TSHRAOC3
SCHEMBL28635021 0.75 TDP1 (0.50) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL14483875 0.74 TDP1 (0.43) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL10711587 0.74 ACHE (0.44) TDP1ALDH1A1TSHRMEN1HTT
SCHEMBL16841448 0.74 TDP1 (0.38) TDP1CYP3A4ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999100-B2 Method for chiral inversion of (S)-(+)-and (R)-(−)-10,11-dihydro-10-hydroxy-5H-dibenz/b,f/azepine-5-carboxamide and optically enriched mixtures thereof Bial-Portela CA & S.A. (PT) 2011-08-16 US claimed
CN-100582095-C Chiral inversion methods for (S)-(+)-and (R)-(-)-10, 11-dihydro-10-hydroxy-5H-dibenzo/b, f/aza-5-carboxamides and optically enriched mixtures thereof PORTELA & CA SA 2010-01-20 CN claimed
EP-1789395-B8 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF BIAL PORTELA & CA SA (PT) 2009-08-12 EP claimed
EP-1789395-B1 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF BIAL PORTELA & CA SA (PT) 2009-01-14 EP claimed
US-20080293934-A1 Method for Chiral Inversion of (S)-(+)-and (R)-(-)-10,11-Dihydro-10-Hydroxy-5H-Dibenz/B,F/Azepine-5-Carboxamide and Optically Enriched Mixtures Thereof BIAL - PORTELA & CA, S.A. (PT) 2008-11-27 US claimed
CN-101023061-A Method for chiral inversion of (S)-(+)- and (R)-(-)-10,11-dihydro-10-hydroxy-5h-dibenz/b,f/azepine-5-carboxamide and optically enriched mixtures thereof PORTELA & CA SA (PT) 2007-08-22 CN claimed
EP-1789395-A1 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF Portela & CA SA (PT) 2007-05-30 EP claimed
WO-2006005951-A1 METHOD FOR CHIRAL INVERSION OF (S)-(+)- AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ/B,F/AZEPINE-5-CARBOXAMIDE AND OPTICALLY ENRICHED MIXTURES THEREOF PORTELA & C.A. S.A. (PT) 2006-01-19 WO claimed
CN-122006631-A Device for preparing hydrogen fluoride by molecular recognition complexation method and application thereof 浙江大学衢州研究院 2026-05-12 CN disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
EP-2964628-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES AS ALDOSTERONE SYNTHASE (CYP11B2 OR CYP11B1) INHIBITORS HOFFMANN LA ROCHE (CH) 2019-09-11 EP disclosed
CN-105102445-B Novel dihydroquinolin-2-one derivatives as aldosterone synthase (CYP11B2 or CYP11B1) inhibitors 豪夫迈·罗氏有限公司 2018-10-23 CN disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
EP-0161979-A1 Process for dimerizung a conjugated diene Société Chimique des Charbonnages S.A. (FR) 1985-11-21 EP disclosed
EP-0017422-B1 THERMOPLASTIC POLYAMIDEIMIDE COPOLYMERS AND METHOD OF PREPARATION TORAY INDUSTRIES, INC. (JP) 1983-11-30 EP disclosed
US-4299945-A HEAT POLYMERIZATION OF AN AROMATIC DIAMINO COMPOUND AND AN AROMATIC TRIBASIC CARBOXYLIC ACID TORAY INDUSTRIES, INC. (JP) 1981-11-10 US disclosed
EP-0017422-A1 Thermoplastic polyamideimide copolymers and method of preparation TORAY INDUSTRIES, INC. (JP) 1980-10-15 EP disclosed
US-4145559-A Esters of 4-substituted 2-methyleneglutaric acids and method for preparing same ROHM AND HAAS COMPANY (US) 1979-03-20 US disclosed
US-4028429-A ORGANONICKEL-ALUMINUM-AMINEPHOSPHINE COMPLEX E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-07 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 (1 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-20080293934-A1 Method for Chiral Inversion of (S)-(+)-and (R)-(-)-10,11-Dihydro-10-Hydroxy-5H-Dibenz/B,F/Azepine-5-Carboxamide and Optically Enriched Mixtures Thereof HTR2B, HTR5A, FHIT TDP1 4327/4885CYP3A4 345/4885ESR1 3092/4885

“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.