SCHEMBL5880751

SCHEMBL5880751

O=C1CC(=O)OC(CCc2cccc(O)c2)(C2CCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.40
OPRK1 P41145 18/20 0.40
OPRD1 P41143 17/20 0.40
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL5880749 1.00 OPRM1 (0.40) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL5880816 1.00 OPRM1 (0.40) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL3987928 0.89 CYP4F2 (0.30)
SCHEMBL5880854 0.86 ALDH1A1 (0.38)
SCHEMBL3986253 0.86 TAAR1 (0.38)
SCHEMBL3986868 0.86 SMN1; SMN2 (0.34)
SCHEMBL5880732 0.86 RAB9A (0.33) OPRM1OPRK1OPRD1
SCHEMBL5880848 0.86 GAA (0.34)
SCHEMBL5880880 0.85 EPHX1 (0.39)
SCHEMBL5880858 0.85 RAB9A (0.35) OPRM1OPRK1OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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 (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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 OPRM1 1930/4885OPRK1 1942/4885OPRD1 1937/4885

“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.