SCHEMBL2238542

SCHEMBL2238542

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
BDKRB1 P46663 6/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
LTA4H P09960 1/20 0.37
PDCD1LG2 Q9BQ51 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
UTS2R Q9UKP6 2/20 0.37
GRM2 Q14416 1/20 0.36
CCR2 P41597 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
SCHEMBL2239206 0.93 MCHR1 (0.39) MCHR1BDKRB1DRD2DRD4LTA4H
SCHEMBL2237518 0.89 BDKRB1 (0.40) MCHR1BDKRB1
SCHEMBL2242873 0.89 BDKRB1 (0.40) MCHR1BDKRB1GRM2
SCHEMBL2239605 0.89 BDKRB1 (0.40) MCHR1BDKRB1GRM2
SCHEMBL2239248 0.88 BDKRB1 (0.41) MCHR1BDKRB1
SCHEMBL2237407 0.87 BDKRB1 (0.39) BDKRB1CD274
SCHEMBL2238250 0.87 BDKRB1 (0.41) MCHR1BDKRB1
SCHEMBL2237621 0.86 BDKRB1 (0.38) BDKRB1LTA4H
SCHEMBL2236863 0.86 BDKRB1 (0.38) MCHR1BDKRB1
SCHEMBL2238215 0.86 BDKRB1 (0.42) BDKRB1

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 1/4885DRD2 798/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MCHR1 366/4885BDKRB1 1/4885DRD2 647/4885

“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.