SCHEMBL388484

SCHEMBL388484

CC(NC1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc21)c1csc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
OPRM1 P35372 17/20 0.42
OPRD1 P41143 16/20 0.42
OPRK1 P41145 14/20 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
SCHEMBL388704 0.83 OPRM1 (0.46) HRH3OPRM1OPRD1OPRK1
SCHEMBL388485 0.82 OPRM1 (0.45) HRH3OPRM1OPRD1OPRK1
SCHEMBL387210 0.81 HRH3 (0.52) HRH3OPRM1OPRD1OPRK1
SCHEMBL385080 0.79 HRH3 (0.46) HRH3OPRM1OPRD1OPRK1
SCHEMBL389846 0.79 OPRM1 (0.51) HRH3OPRM1OPRD1OPRK1
SCHEMBL388503 0.78 OPRM1 (0.54) HRH3OPRM1OPRD1OPRK1
SCHEMBL388127 0.78 HRH3 (0.51) HRH3OPRM1OPRD1OPRK1
SCHEMBL388553 0.75 OPRM1 (0.55) HRH3OPRM1OPRD1OPRK1
SCHEMBL388111 0.75 OPRM1 (0.53) HRH3OPRM1OPRD1OPRK1
SCHEMBL390206 0.75 HRH3 (0.55) HRH3OPRM1OPRD1OPRK1

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-8101638-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PEDREGAL-TERCERO CONCEPCION 2009-01-22 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-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRD1 HRH3 587/4885OPRM1 1/4885OPRD1 3/4885

“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.