SCHEMBL1617652

SCHEMBL1617652

NC(=O)CCc1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.60
DRD1 P21728 2/20 0.60
TAAR1 Q96RJ0 1/20 0.60
ENPP2 Q13822 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
IDO1 P14902 1/20 0.49
OPRK1 P41145 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL934635 0.91 HDAC6 (0.59) DRD2DRD1TAAR1ENPP2HDAC6
SCHEMBL30692614 0.84 DRD2 (0.59) DRD2DRD1TAAR1ENPP2HDAC6
SCHEMBL29822763 0.84 DRD2 (0.59) DRD2DRD1TAAR1ENPP2HDAC6
SCHEMBL11756870 0.84 DRD2 (0.59) DRD2DRD1TAAR1ENPP2HDAC6
SCHEMBL29563859 0.82 KEAP1 (0.63) DRD2DRD1TAAR1HDAC6CHRM2
SCHEMBL65250 0.82 KEAP1 (0.63) DRD2DRD1TAAR1HDAC6CHRM2
Phenol SCHEMBL28125145 0.82 KEAP1 (0.57) HDAC6MAPK1MAPTCAPN1
SCHEMBL31336237 0.82 KEAP1 (0.63) DRD2DRD1TAAR1HDAC6CHRM2
SCHEMBL4604250 0.81 MAOA (0.57) CYP3A4CAPN1
SCHEMBL265820 0.81 ALDH1A1 (0.62) DRD2DRD1TAAR1ENPP2HDAC6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356063-A Preparation method of 7-hydroxy-3,4-dihydro-2-(1H) carbostyril UNIV EAST CHINA NORMAL 2015-02-18 CN claimed
CN-114790328-B Alicyclic polycarbonate composition 华东理工大学 2024-03-22 CN disclosed
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
CN-109096249-A A kind of synthetic method of Aripiprazole 中国科学院兰州化学物理研究所 2018-12-28 CN disclosed
CN-106905249-A A kind of preparation method of azepine class compound 长沙深橙生物科技有限公司 2017-06-30 CN disclosed
CN-104356063-A Preparation method of 7-hydroxy-3,4-dihydro-2-(1H) carbostyril UNIV EAST CHINA NORMAL 2015-02-18 CN disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-7923578-B2 Prevent sagging of skin; luster ; amidation of 3-(4-hydroxyphenyl)propionic acid with ammonia using 4-nitrophenol in ethyl acetateand dicyclohexylcarbodiimide; stirring ; precipitation dicyclohexylurea; filtration under vacuum INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2011-04-12 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
EP-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP DRD2 4595/4885DRD1 4359/4885TAAR1 2335/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H DRD2 3613/4885DRD1 3150/4885TAAR1 3452/4885
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS TSLP, CFTR, TPMT DRD2 3537/4885DRD1 3672/4885TAAR1 1258/4885

“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.