SCHEMBL1013029

SCHEMBL1013029

COC(=O)CCc1ccc(N)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL6157993 0.88 L3MBTL1 (0.43) EPHX2NR1H4MAPTL3MBTL1CYP3A4
SCHEMBL2131234 0.84 TKT (0.41) MAPTCCNCCDK8KMT2AMEN1
SCHEMBL11532393 0.84 MAPT (0.57) MAPTCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL1627073 0.84 EPHX2 (0.48) EPHX2NR1H4MAPTL3MBTL1CYP3A4
SCHEMBL1014516 0.83 NPSR1 (0.41) MAPTCCNCCDK8CYP1A2CYP2C19
SCHEMBL1744734 0.83 KDM4E (0.43) MAPTL3MBTL1ALDH1A1GAA
SCHEMBL18982801 0.81 TKT (0.39) MAPTL3MBTL1CCNCCDK8CYP1A2
SCHEMBL1531406 0.81 GAA (0.57) MAPTALDH1A1HTTGAA
SCHEMBL23665866 0.80 HPGD (0.53) EPHX2NR1H4MAPTCYP3A4CYP2C19
SCHEMBL30261166 0.80 ALDH1A1 (0.47) MAPTCYP3A4CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021143923-A1 BORONIC ACID DERIVATIVES 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
CN-104710365-A Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORP 2015-06-17 CN disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
CN-102015656-A Phenylpropionic acid derivatives and use thereof ASAHI KASEI PHARMA CORP 2011-04-13 CN disclosed
EP-2272832-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-01-12 EP disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US disclosed
WO-1995024405-A1 IMIDAZOLIDIN-2-ONES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-09-14 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 (2 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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B EPHX2 824/4885NR1H4 480/4885MAPT 4623/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B EPHX2 824/4885NR1H4 480/4885MAPT 4623/4885

“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.