SCHEMBL765154

SCHEMBL765154

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(Cl)cc3C(F)(F)F)cc2)CC1)c1cncnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.49
PTGER4 P35408 2/20 0.42
MAPK14 Q16539 3/20 0.38
CYP3A4 P08684 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.36
CCR2 P41597 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PTGER2 P43116 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL13904296 0.90 BDKRB1 (0.49) BDKRB1PTGER4MAPK14CYP3A4CNR1
SCHEMBL764412 0.90 BDKRB1 (0.53) BDKRB1POLBL3MBTL1
SCHEMBL764431 0.90 BDKRB1 (0.49) BDKRB1PTGER4MAPK14CYP3A4CNR1
SCHEMBL764466 0.90 BDKRB1 (0.51) BDKRB1PTGER4MAPK14CYP3A4CNR1
SCHEMBL2549218 0.90 BDKRB1 (0.49) BDKRB1PTGER4MAPK14CNR1CNR2
SCHEMBL13904097 0.90 BDKRB1 (0.49) BDKRB1PTGER4MAPK14CYP3A4CNR1
SCHEMBL765146 0.89 BDKRB1 (0.50) BDKRB1PTGER4MAPK14CYP3A4CNR1
SCHEMBL765524 0.89 BDKRB1 (0.51) BDKRB1PTGER4MAPK14CYP3A4CNR1
SCHEMBL765617 0.88 BDKRB1 (0.52) BDKRB1PTGER4MAPK14CYP3A4CNR1
SCHEMBL764457 0.88 BDKRB1 (0.56) BDKRB1PTGER4MAPK14CYP3A4CNR1

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 1/4885PTGER4 185/4885MAPK14 1751/4885

“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.