SCHEMBL388710

SCHEMBL388710

CC(C)CCNC1CCc2ccc(Oc3ccc(C(N)=O)cn3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.56
OPRD1 P41143 13/20 0.56
OPRK1 P41145 12/20 0.56
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
HRH3 Q9Y5N1 2/20 0.53
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46

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
SCHEMBL388366 0.96 OPRM1 (0.59) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL387293 0.93 OPRM1 (0.57) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL389764 0.88 OPRM1 (0.56) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL5181309 0.86 OPRM1 (0.52) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL390080 0.85 OPRM1 (0.63) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL388553 0.85 OPRM1 (0.55) OPRM1OPRD1OPRK1HRH3
SCHEMBL5194235 0.84 OPRM1 (0.55) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL388137 0.84 OPRM1 (0.59) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL387158 0.83 OPRM1 (0.61) OPRM1OPRD1OPRK1ADRB1ADRB3
SCHEMBL388826 0.83 OPRM1 (0.61) OPRM1OPRD1OPRK1ADRB1ADRB3

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 9 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 claimed
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PEDREGAL-TERCERO CONCEPCION 2009-01-22 US claimed
EP-1613597-B1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2007-11-07 EP claimed
US-20060205715-A1 6-Substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY 2006-09-14 US claimed
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
US-7399774-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-15 US disclosed
EP-1613597-B1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2007-11-07 EP disclosed
US-20060205715-A1 6-Substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY 2006-09-14 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 (2 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-20060205715-A1 6-Substituted nicotinamide derivatives as opioid receptor antagonists OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRD1 5/4885OPRK1 3/4885
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885

“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.