SCHEMBL6599544

SCHEMBL6599544

CCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCCN(CC3CC3)C2)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.79
OPRK1 P41145 6/20 0.79
OPRM1 P35372 3/20 0.79
KDM2B Q8NHM5 7/20 0.52

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
SCHEMBL6170482 0.90 OPRD1 (0.78) OPRD1OPRK1OPRM1
SCHEMBL6598590 0.90 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL6598195 0.89 OPRD1 (0.63) OPRD1OPRK1OPRM1KDM2B
SCHEMBL6598574 0.89 OPRD1 (0.73) OPRD1OPRK1OPRM1KDM2B
SCHEMBL6601891 0.88 OPRD1 (1.00) OPRD1OPRK1OPRM1
SCHEMBL6599265 0.86 OPRD1 (0.59) OPRD1OPRK1OPRM1
SCHEMBL6600893 0.86 OPRD1 (0.63) OPRD1OPRK1OPRM1
SCHEMBL6599819 0.85 OPRD1 (0.56) OPRD1OPRK1OPRM1KDM2B
SCHEMBL6598905 0.83 OPRD1 (0.77) OPRD1OPRK1OPRM1KDM2B
SCHEMBL6600700 0.82 OPRD1 (0.54) OPRD1OPRK1OPRM1KDM2B

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-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

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.