SCHEMBL6601752

SCHEMBL6601752

CC1(c2cccc(O)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.62
OPRM1 P35372 5/20 0.59
OPRL1 P41146 1/20 0.56
DRD2 P14416 2/20 0.56
POLB P06746 1/20 0.55
DRD3 P35462 1/20 0.55
OPRK1 P41145 3/20 0.54
SIGMAR1 Q99720 2/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HBB P68871 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL3252230 0.85 OPRL1 (0.65) OPRM1OPRL1DRD2POLBSIGMAR1
Hydrochloric Acid SCHEMBL6160179 0.84 POLB (0.66) OPRM1OPRL1DRD2POLBDRD3
SCHEMBL27550808 0.84 OPRL1 (0.63) OPRM1OPRL1DRD2POLBDRD3
SCHEMBL6600993 0.80 OPRM1 (0.56) OPRM1OPRL1DRD2POLBDRD3
SCHEMBL6656032 0.80 OPRM1 (0.79) OPRD1OPRM1OPRK1
SCHEMBL6486106 0.80 OPRM1 (0.79) OPRD1OPRM1OPRK1
SCHEMBL6602364 0.79 KDM4E (0.50) OPRM1OPRL1POLBOPRK1SIGMAR1
SCHEMBL6171176 0.78 OPRD1 (0.52) OPRD1OPRM1OPRL1DRD2POLB
SCHEMBL6183759 0.77 OPRD1 (0.58) OPRD1OPRM1OPRL1DRD2POLB
SCHEMBL22112062 0.77 OPRM1 (0.47) OPRD1OPRM1OPRL1DRD2POLB

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-1072601-B1 4-arylpiperidine derivatives for the treatment of pruritus PFIZER (US) 2004-09-08 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP 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-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 OPRD1 4/4885OPRM1 9/4885OPRL1 5/4885

“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.