SCHEMBL764497

SCHEMBL764497

O=C(NC1(C(=O)NCc2ccc(Oc3ccccc3C(=O)N3CCCC3)cc2)CC1)c1cncnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.57
TSHR P16473 6/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK14 Q16539 3/20 0.38
MAPK11 Q15759 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
NAMPT P43490 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
SCHEMBL764485 0.87 BDKRB1 (0.61) BDKRB1ALDH1A1GAAHPGDHTT
SCHEMBL12239067 0.85 BDKRB1 (0.60) BDKRB1ALDH1A1GAAHPGDHTT
SCHEMBL765176 0.84 BDKRB1 (0.51) BDKRB1ALDH1A1GAAHTTOPRM1
SCHEMBL765553 0.83 BDKRB1 (0.58) BDKRB1ALDH1A1GAAHPGDHTT
SCHEMBL764458 0.83 BDKRB1 (0.64) BDKRB1KMT2APOLBMEN1LMNA
SCHEMBL765538 0.83 BDKRB1 (0.58) BDKRB1ALDH1A1GAAHPGDHTT
SCHEMBL765172 0.83 BDKRB1 (0.58) BDKRB1ALDH1A1GAAHPGDHTT
SCHEMBL764429 0.83 BDKRB1 (0.58) BDKRB1HTTLMNAMAPK14
SCHEMBL764461 0.83 BDKRB1 (0.61) BDKRB1HPGDHTTLMNAMAPK14
SCHEMBL764413 0.82 BDKRB1 (0.64) BDKRB1HPGDHTTLMNAMAPK14

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 1/4885TSHR 981/4885ALDH1A1 2920/4885

“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.