SCHEMBL764468

SCHEMBL764468

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(Cl)cc3Cl)c(F)c2)CC1)c1cncnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.48
CNR1 P21554 2/20 0.42
PTGDR Q13258 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
MET P08581 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
CXCR4 P61073 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 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
SCHEMBL765522 0.95 BDKRB1 (0.50) BDKRB1CNR1METCARM1PRMT6
Hydrochloric Acid SCHEMBL2546804 0.95 BDKRB1 (0.49) BDKRB1CNR1METCARM1PRMT6
SCHEMBL765808 0.93 BDKRB1 (0.48) BDKRB1CNR1METCARM1PRMT6
SCHEMBL12239074 0.91 BDKRB1 (0.49) BDKRB1CNR1METCARM1PRMT6
SCHEMBL10121264 0.90 BDKRB1 (0.49) BDKRB1CNR1ALDH1A1HPGDCXCR4
SCHEMBL765524 0.88 BDKRB1 (0.51) BDKRB1CNR1ALDH1A1HPGDMET
SCHEMBL765617 0.88 BDKRB1 (0.52) BDKRB1CNR1ALDH1A1HPGDKDM4E
SCHEMBL10121221 0.87 BDKRB1 (0.47) BDKRB1CNR1PTGDR2LMNAMET
SCHEMBL10121183 0.85 BDKRB1 (0.41) BDKRB1CNR1METCARM1PRMT6
SCHEMBL756132 0.85 BDKRB1 (0.39) BDKRB1CNR1METSLC6A2SLC6A4

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 72/4885PTGDR 138/4885

“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.