SCHEMBL6598733

SCHEMBL6598733

CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCCN(c3ccccn3)C2)nc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.54
OPRK1 P41145 10/20 0.54
OPRM1 P35372 5/20 0.53
HSD17B10 Q99714 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
TSHR P16473 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL6599219 0.91 OPRD1 (0.56) OPRD1OPRK1OPRM1CYP1A2CYP3A4
SCHEMBL6600476 0.85 OPRD1 (0.55) OPRD1OPRK1OPRM1CYP1A2CYP2C9
SCHEMBL6597852 0.84 OPRD1 (0.70) OPRD1OPRK1OPRM1
SCHEMBL6602339 0.83 OPRD1 (0.62) OPRD1OPRK1OPRM1
SCHEMBL6599148 0.82 OPRD1 (0.61) OPRD1OPRK1OPRM1ALDH1A1TSHR
SCHEMBL7670040 0.82 OPRD1 (0.65) OPRD1OPRK1OPRM1HSD17B10ALDH1A1
SCHEMBL6171647 0.82 OPRD1 (0.64) OPRD1OPRK1OPRM1HSD17B10ALDH1A1
SCHEMBL6598567 0.81 OPRD1 (0.79) OPRD1OPRK1OPRM1
SCHEMBL6602341 0.81 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL6597690 0.81 OPRD1 (0.68) 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 3 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

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.