SCHEMBL12347367

SCHEMBL12347367

COc1cc(C)c(S(=O)(=O)N(C)Cc2nnc(C(=O)N3CCN(Cc4ccc(OC)nc4)CC3)o2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.46
BDKRB1 P46663 5/20 0.41
PRKAA2 P54646 12/20 0.41
PRKAB2 O43741 5/20 0.41
PRKAG1 P54619 5/20 0.41
PRKAA1 Q13131 5/20 0.41
PRKAG3 Q9UGI9 5/20 0.41
PRKAG2 Q9UGJ0 5/20 0.41
PRKAB1 Q9Y478 5/20 0.41
PIK3CA P42336 8/20 0.38
KCNH2 Q12809 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL2240111 0.95 MCHR1 (0.42) MCHR1BDKRB1PRKAA2PRKAB2PRKAG1
SCHEMBL2239167 0.92 KMT2A (0.45) MCHR1BDKRB1KCNH2
SCHEMBL12347369 0.89 MCHR1 (0.42) MCHR1BDKRB1PRKAA2KCNH2
SCHEMBL12347370 0.89 PPARD (0.44) MCHR1BDKRB1PRKAA2PRKAB2PRKAG1
Trifluoroacetic Acid SCHEMBL2238978 0.87 PPARD (0.46) MCHR1BDKRB1PRKAA2PRKAB2PRKAG1
SCHEMBL2242580 0.87 BDKRB1 (0.42) MCHR1BDKRB1KCNH2
SCHEMBL2242220 0.86 FAAH (0.51)
Trifluoroacetic Acid SCHEMBL2242265 0.85 PPARA (0.41) MCHR1BDKRB1PRKAA2PRKAB2PRKAG1
SCHEMBL1935724 0.82 BDKRB1 (0.45) MCHR1BDKRB1KCNH2
SCHEMBL2237788 0.82 BDKRB1 (0.44) MCHR1BDKRB1KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885PRKAA2 4047/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MCHR1 366/4885BDKRB1 1/4885PRKAA2 4387/4885

“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.