SCHEMBL764441

SCHEMBL764441

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.58
MAPK14 Q16539 4/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 4/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP13 P45452 2/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL764413 0.90 BDKRB1 (0.64) BDKRB1MAPK14CYP3A4SMN1; SMN2HTT
SCHEMBL764432 0.89 BDKRB1 (0.61) BDKRB1MAPK14CYP3A4SMN1; SMN2HTT
SCHEMBL765812 0.89 BDKRB1 (0.63) BDKRB1MAPK14CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL10121362 0.89 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4SMN1; SMN2L3MBTL1
SCHEMBL765647 0.89 BDKRB1 (0.52) BDKRB1MAPK14CYP3A4TSHRSMN1; SMN2
SCHEMBL765617 0.89 BDKRB1 (0.52) BDKRB1MAPK14CYP3A4TSHRSMN1; SMN2
SCHEMBL12239063 0.88 BDKRB1 (0.60) BDKRB1MAPK14CYP3A4SMN1; SMN2HTT
SCHEMBL764455 0.88 BDKRB1 (0.57) BDKRB1MAPK14CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL12238924 0.88 BDKRB1 (0.51) BDKRB1MAPK14CYP3A4TSHRSMN1; SMN2
SCHEMBL765524 0.88 BDKRB1 (0.51) BDKRB1MAPK14CYP3A4TSHRALDH1A1

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.