SCHEMBL6174013

SCHEMBL6174013

CCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.50
OPRK1 P41145 4/20 0.50
OPRM1 P35372 3/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
DRD4 P21917 1/20 0.47
HTR1A P08908 1/20 0.44
CYP3A4 P08684 1/20 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
SCHEMBL6171193 0.90 OPRD1 (0.52) OPRD1OPRK1OPRM1ALDH1A1HPGD
SCHEMBL6599391 0.90 OPRD1 (0.52) OPRD1OPRK1OPRM1ALDH1A1HPGD
SCHEMBL7667107 0.90 OPRD1 (0.51) OPRD1OPRK1OPRM1ALDH1A1HPGD
SCHEMBL6171647 0.88 OPRD1 (0.64) OPRD1OPRK1OPRM1ALDH1A1HPGD
SCHEMBL6599602 0.81 OPRD1 (0.54) OPRD1OPRK1OPRM1ALDH1A1HPGD
SCHEMBL6173909 0.81 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL7668023 0.80 OPRD1 (0.51) OPRD1OPRK1OPRM1ALDH1A1
SCHEMBL7668213 0.79 OPRD1 (0.53) OPRD1OPRK1OPRM1ALDH1A1HPGD
SCHEMBL6168028 0.79 OPRD1 (0.78) OPRD1OPRK1OPRM1
SCHEMBL6170482 0.79 OPRD1 (0.78) 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.