SCHEMBL904718

SCHEMBL904718

COCCn1ncc2cc(CO)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
KMO O15229 3/20 0.41
MAPK1 P28482 2/20 0.39
HCAR3 P49019 1/20 0.39
GLS O94925 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HTR2A P28223 3/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PASK Q96RG2 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
HTR2C P28335 2/20 0.36
CACNA1H O95180 4/20 0.36
CBFB Q13951 1/20 0.36
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
HTR2B P41595 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7 P36402 1/20 0.35

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
SCHEMBL15687474 0.92 MAPK1 (0.44) MAOBMAOAKMOMAPK1GLS
SCHEMBL29491220 0.89 HTR2A (0.44) MAOBMAOAKMOMAPK1HTR2A
SCHEMBL24337928 0.89 HTR2A (0.44) MAOBMAOAKMOMAPK1HTR2A
SCHEMBL14594177 0.87 MAOB (0.50) MAOBMAOAKMOMAPK1HCAR3
SCHEMBL15687146 0.86 HCAR3 (0.41) MAOBMAOAKMOHCAR3GLS
SCHEMBL904775 0.86 MAOB (0.49) MAOBMAOAKMOMAPK1HCAR3
SCHEMBL13607534 0.81 MAOB (0.52) MAOBMAOAKMOMAPK1HCAR3
SCHEMBL3074398 0.81 KMO (0.43) MAOBMAOAKMOMAPK1HTR2A
SCHEMBL904726 0.80 SLC5A2 (0.46) KMOHTR2AHTR2CCACNA1H
SCHEMBL15687533 0.80 HTR2A (0.42) KMOGLSHTR2AHTR2CCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988379-B2 GPR40 receptor agonist, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG CHEM, LTD. (KR) 2018-06-05 US disclosed
US-20150291584-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEM, LTD. (KR) 2015-10-15 US disclosed
EP-2917180-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2015-09-16 EP disclosed
US-8829026-B2 Sulfamoyl benzoic acid heterobicyclic derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2014-09-09 US disclosed
WO-2014073904-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2014-05-15 WO disclosed
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2013-08-15 US disclosed
WO-2012042915-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-05 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-20150291584-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT GPR119, GPR65, GPR55 MAOB 4371/4885MAOA 4024/4885KMO 3100/4885
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM6, TRPM5 MAOB 2423/4885MAOA 2186/4885KMO 620/4885

“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.