SCHEMBL2237167

SCHEMBL2237167

CN(C)[C@H]1CCN(Cc2ccc(CCN(C(=O)O)C(C)(C)C)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
HDAC1 Q13547 1/20 0.47
LTA4H P09960 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CHRM4 P08173 1/20 0.44
JAK2 O60674 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACHE P22303 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CHRM2 P08172 3/20 0.41
CHRM3 P20309 3/20 0.41
GRM2 Q14416 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL2239987 1.00 OPRM1 (0.48) OPRM1HDAC1LTA4HS1PR4S1PR1
SCHEMBL2314469 0.87 OPRM1 (0.46) OPRM1S1PR4S1PR1S1PR3S1PR5
SCHEMBL2236473 0.87 OPRM1 (0.46) OPRM1LTA4HS1PR4S1PR1S1PR3
SCHEMBL1936100 0.85 S1PR5 (0.49) OPRM1LTA4HS1PR4S1PR1S1PR3
SCHEMBL2238599 0.84 OPRM1 (0.51) OPRM1KCNH2ACHEKDM4ELMNA
SCHEMBL2234975 0.84 OPRM1 (0.44) OPRM1LTA4HS1PR4S1PR1S1PR3
SCHEMBL2237331 0.83 ALDH1A1 (0.55) OPRM1LTA4HKDM4E
SCHEMBL2239925 0.82 MCHR1 (0.50) OPRM1LTA4H
SCHEMBL1935385 0.82 S1PR1 (0.45) OPRM1S1PR4S1PR1S1PR3S1PR5
SCHEMBL2237887 0.82 S1PR1 (0.45) OPRM1S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 OPRM1 442/4885HDAC1 2556/4885LTA4H 248/4885

“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.