SCHEMBL764429

SCHEMBL764429

O=C(NC1(C(=O)NCc2ccc(Oc3ccccc3F)cc2)CC1)c1cncnc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.58
CNR1 P21554 1/20 0.42
MAPK14 Q16539 5/20 0.41
CXCR4 P61073 1/20 0.41
PARP10 Q53GL7 1/20 0.40
CYP3A4 P08684 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
FAAH O00519 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL10121362 0.89 BDKRB1 (0.58) BDKRB1MAPK14CXCR4CYP3A4MMP13
SCHEMBL10121232 0.89 BDKRB1 (0.57) BDKRB1CNR1MAPK14CYP3A4MMP13
SCHEMBL765537 0.89 BDKRB1 (0.54) BDKRB1CNR1MAPK14CXCR4CYP3A4
SCHEMBL764461 0.88 BDKRB1 (0.61) BDKRB1CNR1MAPK14CYP3A4LPAR1
SCHEMBL764458 0.88 BDKRB1 (0.64) BDKRB1MAPK14CYP3A4LMNA
SCHEMBL765538 0.88 BDKRB1 (0.58) BDKRB1CNR1MAPK14CYP3A4LPAR1
SCHEMBL765553 0.88 BDKRB1 (0.58) BDKRB1CNR1MAPK14CYP3A4MMP13
SCHEMBL765172 0.88 BDKRB1 (0.58) BDKRB1CNR1MAPK14CYP3A4MMP13
SCHEMBL764413 0.88 BDKRB1 (0.64) BDKRB1CNR1MAPK14CYP3A4MMP13
SCHEMBL10121269 0.88 BDKRB1 (0.56) BDKRB1CNR1MAPK14CYP3A4LPAR1

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 72/4885MAPK14 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.