SCHEMBL587761

SCHEMBL587761

NC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
TDO2 P48775 2/20 0.59
ADRB2 P07550 1/20 0.52
SCN4A P35499 2/20 0.50
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
TSHR P16473 3/20 0.48
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRNA7 P36544 1/20 0.46
HIF1A Q16665 2/20 0.45
ADRA2A P08913 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL588409 1.00 IDO1 (0.59) IDO1TDO2ADRB2SCN4ADPP4
SCHEMBL588076 1.00 IDO1 (0.59) IDO1TDO2ADRB2SCN4ADPP4
Hydrochloric Acid SCHEMBL1143208 0.98 IDO1 (0.61) IDO1TDO2ADRB2SCN4ADPP4
Hydrochloric Acid SCHEMBL3998446 0.95 IDO1 (0.55) IDO1TDO2ADRB2SCN4ADPP4
SCHEMBL1732927 0.89 ADRB2 (0.62) IDO1TDO2ADRB2TSHRHIF1A
Hydrochloric Acid SCHEMBL3179658 0.87 ADRB2 (0.59) IDO1TDO2ADRB2TSHRHIF1A
SCHEMBL11480062 0.87 DPP4 (0.61) DPP4F2TSHRHIF1AADRA2A
SCHEMBL11478580 0.87 DPP4 (0.61) DPP4F2TSHRHIF1AADRA2A
Aminodiphenylmethane SCHEMBL7841 0.84 DPP4 (0.65) DPP4F2TSHRHIF1AADRA2A
Aminodiphenylmethane SCHEMBL7719817 0.81 DPP4 (0.55) DPP4F2TSHRHIF1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573477-A Resveratrol imine analogue and preparation method and application thereof 西安医学院 2022-06-03 CN claimed
CN-107466322-B Mutant transaminases and methods and uses related thereto 豪夫迈·罗氏有限公司 2022-04-15 CN claimed
EP-3283622-B1 MUTANT TRANSAMINASES AS WELL AS METHODS AND USES RELATING THERETO HOFFMANN LA ROCHE (CH) 2019-07-03 EP claimed
US-10017749-B2 Mutant transaminases as well as methods and uses relating thereto HOFFMAN-LA ROCHE INC. (US) 2018-07-10 US claimed
EP-3283622-A1 MUTANT TRANSAMINASES AS WELL AS METHODS AND USES RELATING THERETO F. Hoffmann-La Roche AG (CH) 2018-02-21 EP claimed
WO-2016166120-A1 MUTANT TRANSAMINASES AS WELL AS METHODS AND USES RELATING THERETO F. HOFFMANN-LA ROCHE AG (CH) 2016-10-20 WO claimed
US-20160304843-A1 MUTANT TRANSAMINASES AS WELL AS METHODS AND USES RELATING THERETO HOFFMANN-LA ROCHE INC. (US) 2016-10-20 US claimed
EP-2167479-B1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LTD (IN) 2013-09-11 EP claimed
WO-2012101475-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ANTIHISTAMINIC DRUGS VIA A NOVEL CARBAMATE INTERMEDIATE JUBILANT LIFE SCIENCES LIMITED (IN) 2012-08-02 WO claimed
US-8084606-B2 Process for preparation of substantially optically pure levorotatory and dextrorotatory enantiomers of cetirizine using novel intermediates SYMED LABS LIMITED (IN) 2011-12-27 US claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
WO-2009062036-A2 PROCESSES FOR PREPARING LEVOCETIRIZINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2009-05-14 WO claimed
CN-101356162-A Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2009-01-28 CN claimed
WO-2008152650-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2008-12-18 WO claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
US-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine COSSEMENT ERIC (BE) 2004-06-24 US claimed
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2004-06-24 US claimed
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2003-10-30 US claimed
EP-0617028-B1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl] piperazine UCB SA (BE) 2000-06-14 EP claimed
EP-0617028-A1 Enantiomers of 1-(4-chlorophenyl)phenylmethyl)-4-(4-methylphenyl)sulfonyl piperazine U C B, S.A. (BE) 1994-09-28 EP 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-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine RPLP1, QDPR, RPLP2 IDO1 1619/4885TDO2 1039/4885ADRB2 47/4885
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR IDO1 1623/4885TDO2 1065/4885ADRB2 43/4885
US-10017749-B2 Mutant transaminases as well as methods and uses relating thereto GOT1, GOT2, OAT IDO1 2020/4885TDO2 327/4885ADRB2 4605/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 IDO1 472/4885TDO2 946/4885ADRB2 59/4885
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR IDO1 1623/4885TDO2 1065/4885ADRB2 43/4885

“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.