SCHEMBL2236733

SCHEMBL2236733

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3ccc(CN4CCC(O)C4)cc3)co2)C2CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.36
BDKRB1 P46663 3/20 0.36
KCNH2 Q12809 1/20 0.36
EP300 Q09472 1/20 0.36
HIF1A Q16665 1/20 0.36
PDK1 Q15118 2/20 0.35
PDE5A O76074 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
PDE10A Q9Y233 1/20 0.35
SPHK1 Q9NYA1 2/20 0.34
SPHK2 Q9NRA0 1/20 0.34
WNK1 Q9H4A3 1/20 0.33
CDC7 O00311 1/20 0.33
FGFR1 P11362 2/20 0.33

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
SCHEMBL2238132 0.96 EP300 (0.36) MCHR1BDKRB1EP300HIF1A
SCHEMBL2239439 0.96 EP300 (0.38) MCHR1BDKRB1EP300HIF1APDE10A
SCHEMBL2239341 0.95 BDKRB1 (0.37) MCHR1BDKRB1EP300HIF1APDK1
SCHEMBL2235220 0.93 EP300 (0.37) MCHR1BDKRB1EP300HIF1AWNK1
SCHEMBL2237518 0.93 BDKRB1 (0.40) MCHR1BDKRB1KCNH2PDK1PDE5A
SCHEMBL2239214 0.92 PDK1 (0.38) MCHR1BDKRB1EP300HIF1APDK1
SCHEMBL2240327 0.92 BDKRB1 (0.37) MCHR1BDKRB1EP300HIF1A
SCHEMBL303450 0.92 BDKRB1 (0.35) MCHR1BDKRB1KCNH2EP300HIF1A
SCHEMBL2239968 0.91 EP300 (0.41) MCHR1BDKRB1EP300HIF1A
SCHEMBL2238101 0.91 LMNA (0.37) MCHR1BDKRB1EP300HIF1AWNK1

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 12 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
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (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 MCHR1 344/4885BDKRB1 1/4885KCNH2 148/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MCHR1 366/4885BDKRB1 1/4885KCNH2 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.