SCHEMBL4496799

SCHEMBL4496799

CCCN1CCC(N(Cc2cccc(O)c2)c2ccc(C(=O)N(CC)CC)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.64
OPRD1 P41143 20/20 0.64
OPRK1 P41145 20/20 0.64

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
SCHEMBL4497092 0.90 OPRD1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL4499129 0.88 OPRM1 (0.66) OPRM1OPRD1OPRK1
SCHEMBL4499128 0.86 OPRD1 (0.56) OPRM1OPRD1OPRK1
SCHEMBL6173648 0.84 OPRM1 (0.84) OPRM1OPRD1OPRK1
SCHEMBL4485746 0.83 OPRD1 (0.52) OPRM1OPRD1OPRK1
Oxalic Acid SCHEMBL6176266 0.81 OPRM1 (0.78) OPRM1OPRD1OPRK1
SCHEMBL4492889 0.80 OPRD1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL4487446 0.80 OPRD1 (0.58) OPRM1OPRD1OPRK1
Fumaric Acid SCHEMBL6174172 0.79 OPRM1 (0.76) OPRM1OPRD1OPRK1
Fumaric Acid SCHEMBL6174165 0.79 OPRM1 (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576105-B2 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICA, NV (BE) 2009-08-18 US disclosed
US-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives BAXTER ELLEN W 2006-05-18 US disclosed
WO-2004035541-A1 BENZYL SUBSTITUTED (PIPERIDIN-4-YL) AMINOBENZAMIDO DERIVATIVES AS DELTA-OPIOD RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 WO disclosed
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICALS N.V. (BE) 2004-04-29 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-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 OPRM1 3/4885OPRD1 1/4885OPRK1 2/4885
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 OPRM1 3/4885OPRD1 1/4885OPRK1 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.