SCHEMBL2240263

SCHEMBL2240263

COC1CCN(Cc2ccc(CCN(C(=O)O)C(C)(C)C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
OPRK1 P41145 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 4/20 0.42
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
LTA4H P09960 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
SCHEMBL2234975 0.93 OPRM1 (0.44) OPRM1KDM4ELMNAGAAL3MBTL1
SCHEMBL2237428 0.88 S1PR1 (0.42) OPRM1KDM4ELMNAGAAL3MBTL1
SCHEMBL2237558 0.88 BCHE (0.49) OPRM1KDM4EL3MBTL1ACHECHRM3
SCHEMBL2238599 0.87 OPRM1 (0.51) OPRM1KDM4ELMNAGAAACHE
SCHEMBL2238150 0.84 MCHR1 (0.50) OPRM1KDM4EL3MBTL1ALDH1A1
SCHEMBL2236473 0.82 OPRM1 (0.46) OPRM1KDM4ELMNAGAAACHE
SCHEMBL2314469 0.82 OPRM1 (0.46) OPRM1KDM4ELMNAGAAACHE
SCHEMBL2239987 0.81 OPRM1 (0.48) OPRM1KDM4ELMNAGAAACHE
SCHEMBL2237167 0.81 OPRM1 (0.48) OPRM1KDM4ELMNAGAAACHE
SCHEMBL2237887 0.79 S1PR1 (0.45) OPRM1KDM4ELMNAGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 442/4885KDM4E 2968/4885LMNA 704/4885

“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.