SCHEMBL4044293

SCHEMBL4044293

CCOC(=O)N1CCC(c2ccccc2)(c2nnn(CC(=O)Cc3cccc(C)c3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.47
OPRK1 P41145 9/20 0.47
OPRM1 P35372 1/20 0.47
DPP4 P27487 1/20 0.40
TP53 P04637 1/20 0.39
APP P05067 1/20 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
SCHEMBL2465356 0.89 OPRD1 (0.53) OPRD1OPRK1OPRM1
SCHEMBL2468057 0.83 OPRD1 (0.50) OPRD1OPRK1OPRM1APP
SCHEMBL2468263 0.83 OPRD1 (0.60) OPRD1OPRK1OPRM1APP
SCHEMBL2468270 0.82 OPRD1 (0.48) OPRD1OPRK1OPRM1APP
SCHEMBL13688445 0.81 OPRD1 (0.52) OPRD1OPRK1OPRM1
SCHEMBL2491525 0.81 OPRD1 (0.55) OPRD1OPRK1OPRM1APP
SCHEMBL2466761 0.81 OPRD1 (0.51) OPRD1OPRK1OPRM1
SCHEMBL2473455 0.81 OPRD1 (0.53) OPRD1OPRK1OPRM1TP53APP
SCHEMBL2471279 0.81 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL2465745 0.80 OPRD1 (0.65) OPRD1OPRK1OPRM1APP

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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 OPRD1 2240/4885OPRK1 513/4885OPRM1 2850/4885

“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.