SCHEMBL765842

SCHEMBL765842

Cc1cc(Cl)ccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGER4 P35408 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
HPGD P15428 2/20 0.41
MAPK14 Q16539 3/20 0.41
DDR2 Q16832 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PPARG P37231 1/20 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
SCHEMBL765612 0.92 BDKRB1 (0.45) BDKRB1SMN1; SMN2CYP3A4CYP1A2CYP2D6
SCHEMBL765546 0.91 BDKRB1 (0.53) BDKRB1SMN1; SMN2CYP3A4PTGER4LIPG
SCHEMBL12239078 0.91 BDKRB1 (0.54) BDKRB1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL765617 0.91 BDKRB1 (0.52) BDKRB1SMN1; SMN2CYP3A4PTGER4HPGD
SCHEMBL765565 0.90 BDKRB1 (0.56) BDKRB1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL12238924 0.89 BDKRB1 (0.51) BDKRB1SMN1; SMN2CYP3A4PTGER4HPGD
SCHEMBL765524 0.89 BDKRB1 (0.51) BDKRB1CYP3A4PTGER4HPGDMAPK14
SCHEMBL10121385 0.89 BDKRB1 (0.53) BDKRB1CYP3A4PTGER4LIPGMAPK14
SCHEMBL764493 0.89 BDKRB1 (0.51) BDKRB1SMN1; SMN2CYP3A4CYP1A2CYP2D6
SCHEMBL765647 0.89 BDKRB1 (0.52) BDKRB1SMN1; SMN2CYP3A4PTGER4HPGD

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 1/4885SMN1; SMN2 4189/4885CYP3A4 1580/4885

“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.