SCHEMBL2239917

SCHEMBL2239917

CC(=O)NC1CCN(Cc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
UTS2R Q9UKP6 7/20 0.45
MCHR1 Q99705 2/20 0.45
CYP2D6 P10635 1/20 0.45
TEAD1 P28347 1/20 0.44
CD274 Q9NZQ7 4/20 0.44
PDCD1LG2 Q9BQ51 3/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL2241833 0.86 LTA4H (0.54) LTA4HUTS2RMCHR1CYP2D6TEAD1
SCHEMBL2236466 0.84 BCHE (0.44) LTA4HMCHR1CYP2D6
SCHEMBL2239984 0.83 HDAC1 (0.44) LTA4H
SCHEMBL2234967 0.82 BCHE (0.47) LTA4H
SCHEMBL2238595 0.81 ALDH1A1 (0.47) CYP2D6HRH3
SCHEMBL1936097 0.81 HTT (0.51) LTA4HCD274
SCHEMBL2237327 0.80 ALDH1A1 (0.51) LTA4H
SCHEMBL2237880 0.80 HTR2C (0.43)
SCHEMBL2240256 0.79 OPRM1 (0.43) LTA4HHRH3
SCHEMBL2237555 0.79 BCHE (0.54) LTA4H

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 4 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-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

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 LTA4H 277/4885UTS2R 348/4885MCHR1 344/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 LTA4H 248/4885UTS2R 310/4885MCHR1 366/4885

“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.