SCHEMBL6607339

SCHEMBL6607339

CCCCCCN1CCC(C)(c2cccc(-c3ncc[nH]3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
OPRM1 P35372 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL6601783 0.84 OPRM1 (0.47) OPRM1
SCHEMBL5752077 0.82 OPRM1 (0.39) DRD3KCNH2HRH3OPRM1CYP1A2
SCHEMBL6602182 0.81 DRD2 (0.45) DRD3OPRM1CYP3A4CYP2C9CYP2C19
SCHEMBL6603813 0.79 DRD3 (0.42) DRD3OPRM1SIGMAR1
SCHEMBL6655150 0.75 DRD3 (0.69) DRD3OPRM1
SCHEMBL6655519 0.75 DRD3 (0.50) DRD3OPRM1SIGMAR1
SCHEMBL5756833 0.74 CYP1A2 (0.35) OPRM1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL1720414 0.70 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6657899 0.69 DRD3 (0.47) DRD3OPRM1
SCHEMBL6654627 0.69 OPRM1 (0.51) DRD3KCNH2OPRM1

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 DRD3 136/4885KCNH2 1357/4885HRH3 12/4885

“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.