SCHEMBL765124

SCHEMBL765124

O=C(CC(F)(F)F)NC1(C(=O)NCc2ccc(Oc3ccc(Cl)cc3F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.39
MET P08581 1/20 0.38
SCN9A Q15858 6/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER2 P43116 1/20 0.36
FFAR1 O14842 2/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
METAP2 P50579 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
SCHEMBL12239061 0.89 CYP3A4 (0.40) PTGER4ALDH1A1GAAHPGDHTT
SCHEMBL765655 0.81 PTGER4 (0.45) PTGER4SMN1; SMN2ALDH1A1METGAA
SCHEMBL765524 0.80 BDKRB1 (0.51) PTGER4ALDH1A1METSCN9AGAA
SCHEMBL765182 0.80 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1L3MBTL1PPARG
SCHEMBL10121264 0.75 BDKRB1 (0.49) PTGER4SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL13166420 0.75 MAPT (0.41) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL764477 0.73 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1L3MBTL1PPARG
SCHEMBL756132 0.73 BDKRB1 (0.39) PTGER4METPPARGPPARAMETAP2
SCHEMBL765154 0.73 BDKRB1 (0.49) PTGER4SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL765522 0.72 BDKRB1 (0.50) PTGER4METMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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 (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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB PTGER4 185/4885SMN1; SMN2 4189/4885ALDH1A1 2920/4885

“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.