SCHEMBL2238599

SCHEMBL2238599

CC(C)(C)N(CCc1ccc(CN2CCC(O)CC2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.51
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 4/20 0.46
CHRM3 P20309 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
CYP2D6 P10635 1/20 0.45
ACHE P22303 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.44
KCNH2 Q12809 1/20 0.42

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
SCHEMBL2236473 0.93 OPRM1 (0.46) OPRM1KDM4EGAALMNACHRM2
SCHEMBL1935385 0.87 S1PR1 (0.45) OPRM1KDM4EGAALMNACHRM2
SCHEMBL2238150 0.87 MCHR1 (0.50) OPRM1KDM4EALDH1A1
SCHEMBL2240263 0.87 OPRM1 (0.48) OPRM1KDM4EGAALMNACHRM2
SCHEMBL2237331 0.86 ALDH1A1 (0.55) OPRM1KDM4EALDH1A1
SCHEMBL2314469 0.85 OPRM1 (0.46) OPRM1KDM4EGAALMNACHRM2
SCHEMBL2237887 0.85 S1PR1 (0.45) OPRM1KDM4EGAALMNAMEN1
SCHEMBL2237167 0.84 OPRM1 (0.48) OPRM1KDM4EGAALMNACHRM2
SCHEMBL2239987 0.84 OPRM1 (0.48) OPRM1KDM4EGAALMNACHRM2
SCHEMBL2234975 0.82 OPRM1 (0.44) OPRM1KDM4EGAALMNA

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 2968/4885GAA 4464/4885

“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.