SCHEMBL764495

SCHEMBL764495

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(F)cc3Br)cc2)CC1)c1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.51
PTGER4 P35408 5/20 0.45
PTGER2 P43116 2/20 0.45
CXCR4 P61073 1/20 0.43
MAPK14 Q16539 3/20 0.40
CYP3A4 P08684 1/20 0.40
CNR1 P21554 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
METAP2 P50579 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
SCHEMBL12262021 0.90 BDKRB1 (0.56) BDKRB1CYP3A4L3MBTL1
SCHEMBL765831 0.89 BDKRB1 (0.51) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL765204 0.89 BDKRB1 (0.51) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL10121385 0.89 BDKRB1 (0.53) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL12239087 0.89 BDKRB1 (0.53) BDKRB1MAPK14CYP3A4CNR1L3MBTL1
SCHEMBL12238924 0.89 BDKRB1 (0.51) BDKRB1PTGER4PTGER2MAPK14CYP3A4
SCHEMBL765553 0.89 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4CNR1L3MBTL1
SCHEMBL10121362 0.88 BDKRB1 (0.58) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL764449 0.87 BDKRB1 (0.49) BDKRB1PTGER4PTGER2CXCR4MAPK14
SCHEMBL13904120 0.86 BDKRB1 (0.50) BDKRB1PTGER4PTGER2MAPK14CNR1

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 185/4885PTGER2 233/4885

“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.