SCHEMBL2237526

SCHEMBL2237526

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N(C)Cc3csc(CN4CCCC4)n3)co2)C2CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 16/20 0.39
OXTR P30559 7/20 0.34
AVPR1A P37288 7/20 0.34
BDKRB1 P46663 2/20 0.34
ELANE P08246 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
SCHEMBL12347018 0.94 AVPR1B (0.39) AVPR1BOXTRAVPR1ABDKRB1ELANE
Trifluoroacetic Acid SCHEMBL2236289 0.91 AVPR1B (0.36) AVPR1BOXTRAVPR1ABDKRB1ELANE
SCHEMBL12347017 0.89 BDKRB1 (0.35) AVPR1BBDKRB1ELANE
SCHEMBL2239968 0.86 EP300 (0.41) AVPR1BBDKRB1ELANE
SCHEMBL12347023 0.86 NPC1 (0.36) BDKRB1ELANE
Trifluoroacetic Acid SCHEMBL2238651 0.85 BDKRB1 (0.33) AVPR1BBDKRB1ELANE
SCHEMBL2237655 0.84 MCHR1 (0.37) AVPR1BBDKRB1ELANE
SCHEMBL2238987 0.84 AVPR1B (0.34) AVPR1BBDKRB1ELANE
Trifluoroacetic Acid SCHEMBL2238088 0.82 BDKRB1 (0.34) BDKRB1
SCHEMBL2239439 0.81 EP300 (0.38) AVPR1BBDKRB1

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 AVPR1B 4/4885OXTR 223/4885AVPR1A 38/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 AVPR1B 4/4885OXTR 223/4885AVPR1A 31/4885

“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.