SCHEMBL2237263

SCHEMBL2237263

COc1cc(C)c(S(=O)(=O)N(Cc2cnc(C(=O)N3CCN(CC4CCN(C)CC4)CC3)o2)C2CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.53
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL2239347 0.88 BDKRB1 (0.54) BDKRB1NPC1RAB9ACACNA2D1CACNA1B
SCHEMBL2239413 0.85 BDKRB1 (0.53) BDKRB1NPC1RAB9ACACNA2D1CACNA1B
SCHEMBL2236258 0.85 BDKRB1 (0.54) BDKRB1NPC1RAB9ACACNA2D1CACNA1B
SCHEMBL12346958 0.82 BDKRB1 (0.53) BDKRB1NPC1RAB9ACACNA2D1CACNA1B
SCHEMBL2237793 0.81 BDKRB1 (0.54) BDKRB1NPC1RAB9ACACNA2D1CACNA1B
SCHEMBL2237079 0.80 BDKRB1 (0.63) BDKRB1
Trifluoroacetic Acid SCHEMBL2240559 0.80 BDKRB1 (0.50) BDKRB1NPC1RAB9ACACNA2D1CACNA1B
SCHEMBL2236033 0.80 BDKRB1 (0.45) BDKRB1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2236026 0.78 BDKRB1 (0.49) BDKRB1NPC1RAB9ACACNA2D1CACNA1B
Trifluoroacetic Acid SCHEMBL15513467 0.78 BDKRB1 (0.49) BDKRB1NPC1RAB9ACACNA2D1CACNA1B

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 BDKRB1 1/4885NPC1 2189/4885RAB9A 2719/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885NPC1 2117/4885RAB9A 2507/4885

“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.