SCHEMBL2237655

SCHEMBL2237655

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3cccc(CN4CCCC4)c3)co2)C2CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
WDR5 P61964 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BDKRB1 P46663 4/20 0.35
EP300 Q09472 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
ELANE P08246 2/20 0.34
AVPR1B P47901 1/20 0.34
SIGMAR1 Q99720 1/20 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
SCHEMBL2239968 0.94 EP300 (0.41) MCHR1BDKRB1EP300HIF1AKMT2A
SCHEMBL2243717 0.91 USP2 (0.39) USP2WDR5ALDH1A1BDKRB1MEN1
SCHEMBL2238987 0.88 AVPR1B (0.34) MCHR1BDKRB1EP300HIF1AMEN1
SCHEMBL2239067 0.88 KLKB1 (0.39) MCHR1USP2MAPTKDM4EALDH1A1
SCHEMBL2239439 0.88 EP300 (0.38) MCHR1BDKRB1EP300HIF1AAVPR1B
SCHEMBL2239323 0.87 EP300 (0.38) MCHR1BDKRB1EP300HIF1AAVPR1B
SCHEMBL2239655 0.87 EP300 (0.36) MCHR1KDM4EBDKRB1EP300HIF1A
SCHEMBL2238132 0.87 EP300 (0.36) MCHR1KDM4EBDKRB1EP300HIF1A
SCHEMBL12347017 0.86 BDKRB1 (0.35) BDKRB1ELANEAVPR1B
SCHEMBL2239341 0.85 BDKRB1 (0.37) MCHR1BDKRB1EP300HIF1AAVPR1B

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 344/4885USP2 4171/4885MAPT 2733/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MCHR1 366/4885USP2 3985/4885MAPT 2466/4885

“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.