SCHEMBL765808

SCHEMBL765808

O=C(NC1(C(=O)NCc2ccc(Oc3ccc(F)cc3Cl)c(F)c2)CC1)c1cncnc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.48
CXCR4 P61073 1/20 0.42
CNR1 P21554 3/20 0.42
MET P08581 2/20 0.41
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
METAP2 P50579 1/20 0.38
PYGL P06737 1/20 0.37
SCN3A Q9NY46 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL764468 0.93 BDKRB1 (0.48) BDKRB1CXCR4CNR1METCARM1
SCHEMBL10121183 0.92 BDKRB1 (0.41) BDKRB1CXCR4CNR1METCARM1
SCHEMBL12239074 0.91 BDKRB1 (0.49) BDKRB1CNR1METCARM1PRMT6
SCHEMBL765831 0.90 BDKRB1 (0.51) BDKRB1CXCR4CNR1METMETAP2
SCHEMBL765522 0.90 BDKRB1 (0.50) BDKRB1CXCR4CNR1METCARM1
Hydrochloric Acid SCHEMBL2546804 0.89 BDKRB1 (0.49) BDKRB1CXCR4CNR1METCARM1
SCHEMBL10121221 0.87 BDKRB1 (0.47) BDKRB1CXCR4CNR1MET
SCHEMBL10121264 0.86 BDKRB1 (0.49) BDKRB1CXCR4CNR1METAP2L3MBTL1
SCHEMBL12239073 0.84 BDKRB1 (0.47) BDKRB1CNR1
SCHEMBL765537 0.84 BDKRB1 (0.54) BDKRB1CXCR4CNR1CARM1PRMT6

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 1/4885CXCR4 732/4885CNR1 72/4885

“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.