SCHEMBL6598513

SCHEMBL6598513

CCN(CC)C(=O)c1ccc(C2(c3cccc(NC(=O)O)c3)CCCN(Cc3ccco3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.54
OPRK1 P41145 10/20 0.53
OPRM1 P35372 7/20 0.53
CNR2 P34972 1/20 0.38

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
SCHEMBL6598891 0.88 OPRD1 (0.58) OPRD1OPRK1OPRM1
SCHEMBL6598384 0.83 OPRD1 (0.76) OPRD1OPRK1OPRM1
SCHEMBL6595690 0.82 OPRD1 (0.79) OPRD1OPRK1OPRM1
SCHEMBL7198825 0.79 OPRD1 (0.53) OPRD1OPRK1OPRM1
SCHEMBL5879390 0.77 OPRD1 (0.62) OPRD1OPRK1OPRM1
SCHEMBL1996254 0.75 OPRD1 (0.60) OPRD1OPRK1OPRM1
SCHEMBL6598904 0.75 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL7198445 0.74 OPRD1 (0.69) OPRD1OPRK1OPRM1
SCHEMBL6599265 0.73 OPRD1 (0.59) OPRD1OPRK1OPRM1
SCHEMBL6598126 0.72 OPRD1 (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140835-B1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PROD INC (US) 2004-05-12 EP disclosed
US-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives PFIZER INC 2004-04-01 US disclosed
US-6586431-B1 Treating drug abuse and drug dependence; nervous system and gastrointestinal disorders PFIZER INC 2003-07-01 US disclosed
US-6503905-B1 Treating nervous system and gastrointestinal disorders; analgesics, antiasthmatics PFIZER INC 2003-01-07 US disclosed
CN-1332727-A 3, 3-diarylpiperidine and 2, 2-diarylmorpholine derivatives PFIZER PROD INC (US) 2002-01-23 CN disclosed
EP-1140835-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES Pfizer Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039091-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-07-06 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 (1 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-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives BCHE, HTR3C, CHRM2 OPRD1 24/4885OPRK1 39/4885OPRM1 88/4885

“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.