SCHEMBL6595690

SCHEMBL6595690

CCN(CC)C(=O)c1ccc(C2(c3cccc(NC(=O)O)c3)CCCN(Cc3nccs3)C2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.79
OPRK1 P41145 7/20 0.79
OPRM1 P35372 3/20 0.51
CYP3A4 P08684 8/20 0.43
CYP2D6 P10635 6/20 0.42
CYP2C19 P33261 5/20 0.42
TSHR P16473 3/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 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
SCHEMBL6598550 0.88 OPRD1 (1.00) OPRD1OPRK1OPRM1CYP3A4CYP2D6
SCHEMBL6598891 0.85 OPRD1 (0.58) OPRD1OPRK1OPRM1ALDH1A1
SCHEMBL6598513 0.82 OPRD1 (0.54) OPRD1OPRK1OPRM1
SCHEMBL6598384 0.81 OPRD1 (0.76) OPRD1OPRK1OPRM1
SCHEMBL6172131 0.79 OPRD1 (0.83) OPRD1OPRK1OPRM1CYP3A4CYP2D6
SCHEMBL7198825 0.77 OPRD1 (0.53) OPRD1OPRK1OPRM1
SCHEMBL1998734 0.77 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL1998738 0.77 OPRD1 (0.65) OPRD1OPRK1OPRM1
SCHEMBL6598904 0.73 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL6265074 0.73 OPRD1 (0.44) 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 4 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-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

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.