SCHEMBL6600513

SCHEMBL6600513

CCN(CC)C(=O)c1ccc(C2(c3cc(F)cc(OC)c3)CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.51
OPRK1 P41145 7/20 0.51
OPRM1 P35372 7/20 0.49
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KCNH2 Q12809 1/20 0.43
RECQL P46063 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
SCHEMBL6599265 0.89 OPRD1 (0.59) OPRD1OPRK1OPRM1CYP2D6CYP3A4
SCHEMBL6601274 0.89 OPRD1 (0.60) OPRD1OPRK1OPRM1CYP2D6KCNH2
SCHEMBL6599143 0.81 OPRD1 (0.59) OPRD1OPRK1OPRM1CYP2D6CYP3A4
SCHEMBL6599122 0.81 OPRD1 (0.60) OPRD1OPRK1OPRM1
SCHEMBL7227860 0.81 OPRD1 (0.56) OPRD1OPRK1OPRM1
SCHEMBL6598904 0.81 OPRD1 (0.75) OPRD1OPRK1OPRM1
SCHEMBL7198825 0.79 OPRD1 (0.53) OPRD1OPRK1OPRM1KCNH2
SCHEMBL6173909 0.79 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL6598590 0.78 OPRD1 (0.64) OPRD1OPRK1OPRM1
SCHEMBL6600233 0.78 OPRD1 (0.49) OPRD1OPRK1OPRM1CYP2D6CYP3A4

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 5 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
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.