SCHEMBL387649

SCHEMBL387649

NC1Cc2ccc(O)cc2C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.71
DRD3 P35462 2/20 0.71
OPRK1 P41145 2/20 0.71
FYN P06241 1/20 0.60
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CYP19A1 P11511 1/20 0.47
CYP11B2 P19099 1/20 0.47
DRD4 P21917 1/20 0.46
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
OPRM1 P35372 4/20 0.44

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
Hydrochloric Acid SCHEMBL6641798 0.98 DRD2 (0.69) DRD2DRD3OPRK1FYNCA1
Bromide SCHEMBL8765825 0.98 DRD2 (0.69) DRD2DRD3OPRK1FYNCA1
SCHEMBL30697493 0.84 DRD2 (1.00) DRD2DRD3OPRK1CYP19A1DRD4
SCHEMBL265949 0.84 DRD2 (1.00) DRD2DRD3OPRK1CYP19A1DRD4
SCHEMBL266800 0.84 OPRK1 (1.00) DRD2DRD3OPRK1CYP19A1DRD4
SCHEMBL30839518 0.84 DRD2 (1.00) DRD2DRD3OPRK1CYP19A1DRD4
SCHEMBL5722322 0.84 DRD2 (1.00) DRD2DRD3OPRK1CYP19A1DRD4
SCHEMBL9135070 0.84 DRD2 (1.00) DRD2DRD3OPRK1CYP19A1DRD4
Bromide SCHEMBL354286 0.82 DRD2 (0.96) DRD2DRD3OPRK1DRD4MAPT
Water SCHEMBL9305270 0.82 DRD2 (0.96) DRD2DRD3OPRK1CYP19A1DRD4

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 12 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
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
CN-1212861-C Preventives or remedies for myocarditis, dilated cardiomyopathy and cardiac insufficiency containing NF-K B inhibitors as the active ingredient DAIICHI SUNTORY PHARMACEATICAL (JP) 2005-08-03 CN disclosed
WO-2004080968-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO disclosed
CN-1335777-A Preventives or remedies for myocarditis, dilated cardiomyopathy and cardiac insufficiency containing NF-K B inhibitors as the active ingredient SUNTORY LTD (JP) 2002-02-13 CN disclosed
EP-0330380-B1 NOVEL INDANOXYACETIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1993-06-23 EP disclosed
US-4975460-A INHIBITION OF PLATELET AGGREGATION TANABE SEIYAKU CO., LTD. (JP) 1990-12-04 US disclosed
EP-0330380-A2 Novel indanoxyacetic acid derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-08-30 EP 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 384/4885OPRK1 3/4885
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRD1 DRD2 217/4885DRD3 180/4885OPRK1 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.