SCHEMBL765552

SCHEMBL765552

COc1cccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.57
CARM1 Q86X55 2/20 0.42
PRMT6 Q96LA8 2/20 0.42
MAPK14 Q16539 2/20 0.41
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDGFRB P09619 2/20 0.39
FLT4 P35916 2/20 0.39
F10 P00742 1/20 0.39
FLT3 P36888 1/20 0.38
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
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL764474 0.91 BDKRB1 (0.54) BDKRB1CARM1PRMT6MAPK14CNR1
SCHEMBL764458 0.91 BDKRB1 (0.64) BDKRB1CARM1PRMT6MAPK14F10
SCHEMBL765538 0.87 BDKRB1 (0.58) BDKRB1CARM1PRMT6MAPK14CNR1
SCHEMBL765812 0.85 BDKRB1 (0.63) BDKRB1MAPK14ALDH1A1SMN1; SMN2F10
SCHEMBL12262023 0.85 BDKRB1 (0.55) BDKRB1MAPK14CNR1ALDH1A1SMN1; SMN2
SCHEMBL12262764 0.85 BDKRB1 (0.55) BDKRB1MAPK14CNR1ALDH1A1SMN1; SMN2
SCHEMBL764461 0.85 BDKRB1 (0.61) BDKRB1MAPK14CNR1SMN1; SMN2HPGD
SCHEMBL12261990 0.84 BDKRB1 (0.58) BDKRB1ALDH1A1L3MBTL1
SCHEMBL10121331 0.84 BDKRB1 (0.60) BDKRB1CARM1PRMT6MAPK14CNR1
SCHEMBL764441 0.83 BDKRB1 (0.58) BDKRB1MAPK14CNR1ALDH1A1SMN1; SMN2

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 4 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-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 1/4885CARM1 3858/4885PRMT6 1981/4885

“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.