SCHEMBL765169

SCHEMBL765169

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1)c1cncnc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.55
MAPK14 Q16539 6/20 0.54
CYP3A4 P08684 4/20 0.44
HDAC1 Q13547 2/20 0.43
KDM1A O60341 1/20 0.43
MMP13 P45452 4/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MMP2 P08253 1/20 0.42
STAT3 P40763 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NAMPT P43490 1/20 0.41
LSS P48449 1/20 0.40
F10 P00742 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL764448 0.93 BDKRB1 (0.53) BDKRB1MAPK14CYP3A4HDAC1KDM1A
SCHEMBL12239076 0.92 BDKRB1 (0.56) BDKRB1MAPK14CYP3A4MMP13HTT
SCHEMBL12262778 0.90 BDKRB1 (0.58) BDKRB1MAPK14HDAC1TRPV1HDAC3
SCHEMBL12239075 0.89 BDKRB1 (0.52) BDKRB1MAPK14HDAC1KDM1A
SCHEMBL10121362 0.89 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4MMP13SMN1; SMN2
SCHEMBL13904174 0.88 BDKRB1 (0.49) BDKRB1MAPK14HDAC1KDM1ALMNA
SCHEMBL765822 0.87 BDKRB1 (0.49) BDKRB1MAPK14CYP3A4HDAC1KDM1A
SCHEMBL764413 0.87 BDKRB1 (0.64) BDKRB1MAPK14CYP3A4HDAC1MMP13
SCHEMBL764432 0.86 BDKRB1 (0.61) BDKRB1MAPK14CYP3A4HDAC1MMP13
SCHEMBL764441 0.86 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4MMP13HTT

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 1751/4885CYP3A4 1580/4885

“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.