SCHEMBL6172252

SCHEMBL6172252

Cc1nnc(-c2ccc(C3(c4cccc(O)c4)CCN(Cc4ccccc4)CC3)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.50
OPRK1 P41145 3/20 0.50
OPRM1 P35372 2/20 0.50
CACNA2D1 P54289 2/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR7 P34969 1/20 0.43
DRD2 P14416 2/20 0.42
OPRL1 P41146 1/20 0.42
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPK14 Q16539 1/20 0.41
GHSR Q92847 1/20 0.41

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
SCHEMBL6168882 0.91 ALDH1A1 (0.50) OPRD1OPRK1OPRM1CACNA2D1POLB
SCHEMBL6173840 0.88 DRD2 (0.46) OPRD1OPRK1OPRM1CACNA2D1POLB
SCHEMBL6171276 0.88 OPRD1 (0.45) OPRD1OPRK1OPRM1CACNA2D1POLB
SCHEMBL6171176 0.85 OPRD1 (0.52) OPRD1OPRK1OPRM1POLBHTR7
SCHEMBL6171353 0.78 OPRM1 (0.48) OPRD1OPRK1OPRM1POLBALDH1A1
SCHEMBL6169561 0.78 OPRL1 (0.54) OPRD1OPRK1OPRM1POLBDRD2
SCHEMBL6183759 0.78 OPRD1 (0.58) OPRD1OPRK1OPRM1POLBALDH1A1
SCHEMBL6170827 0.77 OPRD1 (0.46) OPRD1OPRK1OPRM1POLBALDH1A1
SCHEMBL6171201 0.76 POLB (0.46) POLBALDH1A1KCNH2SIGMAR1
SCHEMBL6171181 0.76 OPRD1 (0.82) 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.