SCHEMBL764448

SCHEMBL764448

O=C(NC1(C(=O)NCc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CC1)c1cncnc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.53
MAPK14 Q16539 3/20 0.46
SCN9A Q15858 1/20 0.41
CCR2 P41597 2/20 0.40
KCNH2 Q12809 2/20 0.40
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
CXCR4 P61073 1/20 0.39
USP36 Q9P275 1/20 0.38
TACR1 P25103 1/20 0.38
CYP3A4 P08684 1/20 0.38
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL12239075 0.95 BDKRB1 (0.52) BDKRB1MAPK14SCN9ACCR2KCNH2
SCHEMBL765169 0.93 BDKRB1 (0.55) BDKRB1MAPK14KDM1AHDAC1CYP3A4
SCHEMBL765822 0.92 BDKRB1 (0.49) BDKRB1MAPK14SCN9ACCR2KCNH2
SCHEMBL10121171 0.92 BDKRB1 (0.46) BDKRB1MAPK14SCN9ACCR2KCNH2
SCHEMBL12239076 0.87 BDKRB1 (0.56) BDKRB1MAPK14CYP3A4
SCHEMBL12262778 0.87 BDKRB1 (0.58) BDKRB1MAPK14HDAC1
SCHEMBL10121362 0.86 BDKRB1 (0.58) BDKRB1MAPK14SCN9ACXCR4CYP3A4
SCHEMBL13904174 0.86 BDKRB1 (0.49) BDKRB1MAPK14CCR2KCNH2KDM1A
SCHEMBL764413 0.85 BDKRB1 (0.64) BDKRB1MAPK14HDAC1CYP3A4
SCHEMBL764432 0.84 BDKRB1 (0.61) BDKRB1MAPK14HDAC1CYP3A4

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 1/4885MAPK14 1751/4885SCN9A 613/4885

“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.