SCHEMBL2237663

SCHEMBL2237663

COc1cc(C)c(S(=O)(=O)N(Cc2nnc(C(=O)N3CCC(CCN4CCCC4)CC3)o2)C2CC2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.43
MCHR1 Q99705 4/20 0.37
KCNH2 Q12809 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2239730 0.92 BDKRB1 (0.42) BDKRB1MCHR1KCNH2MEN1KMT2A
SCHEMBL2236789 0.91 BDKRB1 (0.50) BDKRB1
SCHEMBL2240530 0.91 BDKRB1 (0.43) BDKRB1MCHR1KCNH2MEN1KMT2A
SCHEMBL12346971 0.86 BDKRB1 (0.42) BDKRB1MEN1KMT2AHRH3
SCHEMBL2239719 0.86 BDKRB1 (0.42) BDKRB1MCHR1KCNH2MEN1KMT2A
SCHEMBL2239347 0.86 BDKRB1 (0.54) BDKRB1MCHR1KCNH2MEN1KMT2A
SCHEMBL2240744 0.86 BDKRB1 (0.53) BDKRB1MCHR1KCNH2
SCHEMBL1936687 0.86 BDKRB1 (0.54) BDKRB1
SCHEMBL2236033 0.84 BDKRB1 (0.45) BDKRB1MCHR1KCNH2MEN1KMT2A
SCHEMBL2234950 0.84 BDKRB1 (0.42) BDKRB1MEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US 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 (2 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885MCHR1 344/4885KCNH2 148/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885MCHR1 366/4885KCNH2 156/4885

“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.