SCHEMBL764413

SCHEMBL764413

O=C(NC1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC1)c1cncnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.64
MAPK14 Q16539 5/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.51
MMP13 P45452 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.48
NAMPT P43490 1/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
MAPK11 Q15759 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL764432 0.90 BDKRB1 (0.61) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL765812 0.90 BDKRB1 (0.63) BDKRB1MAPK14CYP3A4HTTMMP13
SCHEMBL764441 0.90 BDKRB1 (0.58) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL10121362 0.90 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4MMP13SMN1; SMN2
SCHEMBL12239063 0.89 BDKRB1 (0.60) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL764455 0.89 BDKRB1 (0.57) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL10121225 0.89 BDKRB1 (0.58) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL10121359 0.89 BDKRB1 (0.55) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL765829 0.88 BDKRB1 (0.59) BDKRB1MAPK14LMNACYP3A4HTT
SCHEMBL765832 0.88 BDKRB1 (0.54) BDKRB1MAPK14LMNACYP3A4HTT

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 1751/4885LMNA 1305/4885

“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.