SCHEMBL14969504

SCHEMBL14969504

CCCCCCc1ccc(OC(C)=O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.55
PPARA Q07869 3/20 0.50
PPARG P37231 2/20 0.50
RARB P10826 2/20 0.49
RARA P10276 1/20 0.49
RARG P13631 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
LTA4H P09960 1/20 0.48
KAT8 Q9H7Z6 2/20 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
SCHEMBL15385613 0.86 THRB (0.49) TRPV1PPARAPPARGRARBRARA
SCHEMBL7246712 0.84 TRPV1 (0.56) TRPV1PPARAPPARGRARBLTA4H
SCHEMBL7252668 0.84 TRPV1 (0.56) TRPV1PPARAPPARGRARBLTA4H
SCHEMBL10952232 0.83 RARB (0.50) RARBRARARARG
SCHEMBL9477837 0.83 RARB (0.57) RARBRARARARG
SCHEMBL7941999 0.83 RARB (0.57) RARBRARARARG
SCHEMBL9399210 0.82 ALOX15 (0.52) PPARAPPARGRARBRARARARG
SCHEMBL9164762 0.82 RARB (0.50) TRPV1RARBRARARARGLTA4H
SCHEMBL10435324 0.82 CYP4F2 (0.57) CYP4F2CYP4A11
SCHEMBL21878246 0.81 TRPV1 (0.53) TRPV1PPARAPPARGLTA4HKAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
EP-2780337-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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 (1 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-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR TRPV1 354/4885PPARA 181/4885PPARG 57/4885

“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.