SCHEMBL6172877

SCHEMBL6172877

CCN(CC)C(=O)c1ccc(C2(c3ccc(C)c(OC)c3)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.58
OPRK1 P41145 8/20 0.58
OPRM1 P35372 6/20 0.58

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
SCHEMBL6173909 0.86 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL6171181 0.83 OPRD1 (0.82) OPRD1OPRK1OPRM1
SCHEMBL6171111 0.82 OPRD1 (0.66) OPRD1OPRK1OPRM1
SCHEMBL6171422 0.80 OPRD1 (0.63) OPRD1OPRK1OPRM1
SCHEMBL6171191 0.78 OPRD1 (0.61) OPRD1OPRK1OPRM1
SCHEMBL6172067 0.78 OPRD1 (0.59) OPRD1OPRK1OPRM1
SCHEMBL6170328 0.78 OPRD1 (0.54) OPRD1OPRK1OPRM1
SCHEMBL6171442 0.77 OPRD1 (0.70) OPRD1OPRK1OPRM1
SCHEMBL6169429 0.77 OPRD1 (0.57) OPRD1OPRK1OPRM1
SCHEMBL6599265 0.76 OPRD1 (0.59) OPRD1OPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112255-B1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY PFIZER PROD INC (US) 2005-12-14 EP disclosed
US-20040138220-A1 4,4-Biarylpiperidine derivatives PFIZER, INC. 2004-07-15 US disclosed
US-6720336-B2 USED AS LIGANDS FOR OPIOID RECEPTORS, FOR THERAPY OF NEUROLOGICAL AND GASTROINTESTINAL DISORDERS PFIZER, INC. 2004-04-13 US disclosed
US-20020013321-A1 4,4-Biarylpiperidine derivatives PFIZER INC. 2002-01-31 US disclosed
EP-1112255-A1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY Pfizer Products Inc. (US) 2001-07-04 EP disclosed
WO-2000014066-A1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2000-03-16 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-20040138220-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 OPRD1 50/4885OPRK1 159/4885OPRM1 166/4885
US-20020013321-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 OPRD1 50/4885OPRK1 159/4885OPRM1 166/4885

“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.