SCHEMBL385507

SCHEMBL385507

Cc1cccc(CCNC2CCCc3cc(Oc4ccc(C(N)=O)cn4)ccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.49
OPRD1 P41143 17/20 0.49
OPRK1 P41145 15/20 0.49
HRH3 Q9Y5N1 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
ROCK1 Q13464 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47

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
SCHEMBL388684 0.95 OPRM1 (0.50) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL388307 0.92 OPRM1 (0.59) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL384889 0.91 OPRM1 (0.49) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL388844 0.90 OPRM1 (0.49) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL385848 0.90 OPRM1 (0.49) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL388373 0.88 OPRM1 (0.48) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL390479 0.87 OPRM1 (0.58) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL388920 0.87 OPRM1 (0.50) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL388898 0.87 OPRM1 (0.61) OPRM1OPRD1OPRK1HRH3GRIN2D
SCHEMBL389854 0.86 OPRM1 (0.49) OPRM1OPRD1OPRK1HRH3GRIN2D

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.