SCHEMBL756234

SCHEMBL756234

COc1ccc(Oc2ccc(C#N)c(Cl)c2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.62
PGR P06401 2/20 0.53
ESRRA P11474 1/20 0.51
SLC22A12 Q96S37 8/20 0.49
SLC6A4 P31645 2/20 0.49
HTR2A P28223 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 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
SCHEMBL966608 0.88 AR (0.57) ARPGRESRRASLC22A12POLB
SCHEMBL11758987 0.86 AR (0.60) ARPGRSLC22A12SLC6A4SLC6A2
SCHEMBL4171619 0.85 AR (0.67) ARPGRESRRASLC22A12POLB
SCHEMBL4181860 0.85 AR (0.67) ARPGRESRRASLC22A12
SCHEMBL4174837 0.84 AR (0.58) ARPGRESRRASLC22A12POLB
SCHEMBL11783518 0.83 AR (0.57) ARPGRESRRASLC22A12SLC6A4
SCHEMBL757008 0.83 AR (0.57) ARPGRESRRASLC22A12
SCHEMBL4178023 0.83 AR (0.74) ARPGRESRRASLC22A12POLB
SCHEMBL2788214 0.83 AR (0.55) ARESRRASLC6A4HTR2ASLC6A2
SCHEMBL4182051 0.81 AR (0.59) ARPGRESRRASLC22A12SLC6A4

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
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
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP 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 AR 1729/4885PGR 469/4885ESRRA 2703/4885

“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.