SCHEMBL765652

SCHEMBL765652

CC(C)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.49
CNR1 P21554 8/20 0.44
CARM1 Q86X55 3/20 0.39
PRMT6 Q96LA8 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARD Q03181 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL10121356 0.94 BDKRB1 (0.48) BDKRB1CNR1CARM1PRMT6PPARD
SCHEMBL10121505 0.91 BDKRB1 (0.50) BDKRB1CNR1CARM1PRMT6
SCHEMBL10121264 0.90 BDKRB1 (0.49) BDKRB1CNR1ALDH1A1SMN1; SMN2PPARD
SCHEMBL12239072 0.90 BDKRB1 (0.51) BDKRB1CNR1CARM1PRMT6SMN1; SMN2
SCHEMBL2547691 0.90 BDKRB1 (0.53) BDKRB1CNR1PPARD
SCHEMBL765537 0.88 BDKRB1 (0.54) BDKRB1CNR1CARM1PRMT6SMN1; SMN2
SCHEMBL10121221 0.87 BDKRB1 (0.47) BDKRB1CNR1
SCHEMBL765524 0.87 BDKRB1 (0.51) BDKRB1CNR1ALDH1A1
SCHEMBL12239059 0.87 BDKRB1 (0.53) BDKRB1CNR1SMN1; SMN2
SCHEMBL12262806 0.87 BDKRB1 (0.55) BDKRB1CNR1ALDH1A1PPARD

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 BDKRB1 1/4885CNR1 72/4885CARM1 3858/4885

“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.