SCHEMBL6169561

SCHEMBL6169561

Oc1cccc(C2(c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.54
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
TACR1 P25103 2/20 0.46
SLC6A4 P31645 2/20 0.46
USP2 O75604 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 1/20 0.45
CHRM4 P08173 1/20 0.45
DRD4 P21917 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
SCHEMBL6171176 0.86 OPRD1 (0.52) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL6183759 0.85 OPRD1 (0.58) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL6170827 0.83 OPRD1 (0.46) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL6171353 0.83 OPRM1 (0.48) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL6171276 0.83 OPRD1 (0.45) OPRL1POLBGAAOPRM1OPRD1
SCHEMBL6172252 0.78 OPRD1 (0.50) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL6168882 0.75 ALDH1A1 (0.50) OPRL1POLBGAAOPRM1OPRD1
SCHEMBL4778246 0.75 OPRL1 (0.78) OPRL1POLBGAAOPRM1OPRD1
SCHEMBL6173840 0.75 DRD2 (0.46) POLBOPRM1OPRD1OPRK1DRD2
SCHEMBL11738755 0.74 OPRL1 (0.69) OPRL1POLBOPRM1SIGMAR1DRD2

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 OPRL1 558/4885POLB 4254/4885GAA 676/4885
US-20020013321-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 OPRL1 558/4885POLB 4254/4885GAA 676/4885

“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.