SCHEMBL765563

SCHEMBL765563

NCc1ccc(Oc2ccc(F)cc2Cl)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A4 P31645 1/20 0.47
CSNK2A1 P68400 6/20 0.46
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 4/20 0.43
AKT1 P31749 2/20 0.43
RPS6KA1 Q15418 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
TRPA1 O75762 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PRKCA P17252 1/20 0.39
CARM1 Q86X55 3/20 0.38
PRMT6 Q96LA8 3/20 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
SCHEMBL10121207 0.88 MRGPRX4 (0.52) SLC6A2SLC6A3SLC6A4CSNK2A1ROCK2
SCHEMBL4367987 0.83 ST14 (0.50) SLC6A2SLC6A3SLC6A4CSNK2A1ROCK2
SCHEMBL757869 0.82 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4CSNK2A1ROCK2
SCHEMBL4369522 0.79 CSNK2A1 (0.51) SLC6A4CSNK2A1ROCK2ROCK1LOXL2
SCHEMBL20384450 0.78 EPAS1 (0.51) ROCK2ROCK1AKT1RPS6KA1LOXL2
SCHEMBL12239000 0.77 ROCK2 (0.52) SLC6A4CSNK2A1ROCK2ROCK1
SCHEMBL12238998 0.76 ROCK2 (0.51) SLC6A4CSNK2A1ROCK2ROCK1AKT1
SCHEMBL4370586 0.76 HSPB1 (0.54) ROCK2ROCK1LOXL2TRPA1
SCHEMBL15330147 0.72 TRPA1 (0.48) SLC6A2SLC6A3SLC6A4TRPA1
SCHEMBL921313 0.72 ROCK2 (0.50) SLC6A4ROCK2ROCK1AKT1RPS6KA1

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 SLC6A2 1647/4885SLC6A3 2382/4885SLC6A4 2203/4885

“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.