SCHEMBL6599391

SCHEMBL6599391

CCN(CC)C(=O)c1ccc(C2(c3cccc(OC)c3)CCCN(c3ccccn3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.52
OPRK1 P41145 7/20 0.52
OPRM1 P35372 3/20 0.51
HSD17B10 Q99714 7/20 0.49
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2C9 P11712 4/20 0.49
TSHR P16473 3/20 0.49
CYP2C19 P33261 3/20 0.49
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL6599602 0.91 OPRD1 (0.54) OPRD1OPRK1OPRM1HSD17B10ALDH1A1
SCHEMBL6174013 0.90 OPRD1 (0.50) OPRD1OPRK1OPRM1HSD17B10ALDH1A1
SCHEMBL6597970 0.84 OPRD1 (0.52) OPRD1OPRK1OPRM1CYP3A4CYP1A2
SCHEMBL6598590 0.83 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL6600455 0.82 OPRD1 (0.48) OPRD1OPRK1OPRM1ALDH1A1TSHR
SCHEMBL6171193 0.82 OPRD1 (0.52) OPRD1OPRK1OPRM1ALDH1A1CYP3A4
SCHEMBL7667107 0.81 OPRD1 (0.51) OPRD1OPRK1OPRM1HSD17B10ALDH1A1
SCHEMBL6599265 0.81 OPRD1 (0.59) OPRD1OPRK1OPRM1ALDH1A1CYP3A4
SCHEMBL6600893 0.81 OPRD1 (0.63) OPRD1OPRK1OPRM1
SCHEMBL6598733 0.80 OPRD1 (0.54) OPRD1OPRK1OPRM1HSD17B10ALDH1A1

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-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.