SCHEMBL388180

SCHEMBL388180

CCCCCNC1CCc2cccc(Oc3ccc(C(N)=O)cn3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
DRD3 P35462 3/20 0.48
HTR1D P28221 1/20 0.47
DRD4 P21917 1/20 0.45
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR1A P08908 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 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
SCHEMBL388846 0.93 DRD2 (0.55) DRD2DRD3HTR1DDRD4MTNR1A
SCHEMBL388466 0.92 DRD2 (0.43) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL388145 0.88 OPRM1 (0.52) MTNR1AMTNR1BOPRM1OPRD1OPRK1
SCHEMBL384916 0.88 MTNR1A (0.43) DRD2DRD3HTR1DDRD4MTNR1A
SCHEMBL387737 0.86 OPRM1 (0.52) MTNR1AMTNR1BOPRM1OPRD1OPRK1
SCHEMBL388275 0.84 OPRM1 (0.51) DRD2MTNR1AMTNR1BOPRM1OPRD1
SCHEMBL388374 0.82 OPRM1 (0.42) DRD2DRD3HTR1DOPRM1OPRD1
SCHEMBL388413 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL389764 0.81 OPRM1 (0.56) DRD2DRD3HTR1DOPRM1OPRD1
SCHEMBL388137 0.81 OPRM1 (0.59) OPRM1OPRD1OPRK1

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 13 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
EP-1613597-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2006-01-11 EP claimed
WO-2004080968-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO 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
EP-1613597-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2006-01-11 EP disclosed
WO-2004080968-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO 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 DRD2 366/4885DRD3 384/4885HTR1D 421/4885
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRD1 DRD2 217/4885DRD3 180/4885HTR1D 456/4885

“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.