SCHEMBL764427

SCHEMBL764427

CCC(NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(Oc2ccc(OC)cc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.46
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
PDE2A O00408 6/20 0.38
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
EPHX2 P34913 3/20 0.36
PPARG P37231 3/20 0.36
CNR1 P21554 2/20 0.36
PTGER4 P35408 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
SCHEMBL765825 0.90 BDKRB1 (0.55) BDKRB1TAS1R3TAS1R1PDE2ACTSL
SCHEMBL16369584 0.88 BDKRB1 (0.46) BDKRB1TAS1R3TAS1R1PDE2ACTSL
SCHEMBL764412 0.84 BDKRB1 (0.53) BDKRB1EPHX2PPARG
SCHEMBL13191405 0.83 BDKRB1 (0.45) BDKRB1CNR1
SCHEMBL13191628 0.83 BDKRB1 (0.45) BDKRB1CNR1
SCHEMBL10121503 0.81 BDKRB1 (0.51) BDKRB1EPHX2
SCHEMBL764482 0.81 BDKRB1 (0.38) BDKRB1EPHX2PPARG
SCHEMBL13191699 0.81 BDKRB1 (0.45) BDKRB1EPHX2PPARG
SCHEMBL13165997 0.80 BDKRB1 (0.48) BDKRB1EPHX2PPARG
SCHEMBL13191582 0.80 BDKRB1 (0.44) BDKRB1EPHX2PPARG

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 1/4885TAS1R3 558/4885TAS1R1 266/4885

“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.