SCHEMBL4131928

SCHEMBL4131928

O=C(O)C1CC1c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.57
HCAR2 Q8TDS4 1/20 0.56
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
GPR88 Q9GZN0 2/20 0.48
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL4131932 1.00 FFAR1 (0.57) FFAR1HCAR2HTR2CHTR2BGPR88
SCHEMBL4134503 0.85 HCAR2 (0.52) HCAR2HTR2CHTR2BGPR88SLC6A4
SCHEMBL4134501 0.85 HCAR2 (0.52) HCAR2HTR2CHTR2BGPR88SLC6A4
SCHEMBL15091458 0.85 FFAR1 (0.52) FFAR1HCAR2GPR88
SCHEMBL15091460 0.85 FFAR1 (0.52) FFAR1HCAR2GPR88
SCHEMBL25882438 0.81 HCAR2 (0.45) HCAR2SLC6A4SLC6A3
SCHEMBL1820513 0.81 SLC6A4 (0.51) HCAR2HTR2CHTR2BSLC6A4SLC6A2
SCHEMBL1820515 0.81 SLC6A4 (0.51) HCAR2HTR2CHTR2BSLC6A4SLC6A2
SCHEMBL1820510 0.81 SLC6A4 (0.51) HCAR2HTR2CHTR2BSLC6A4SLC6A2
SCHEMBL2034678 0.79 FFAR1 (0.70) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 WO disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 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 (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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG FFAR1 4727/4885HCAR2 882/4885HTR2C 4222/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H FFAR1 1439/4885HCAR2 413/4885HTR2C 1304/4885
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A FFAR1 43/4885HCAR2 22/4885HTR2C 1/4885

“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.