SCHEMBL6603813

SCHEMBL6603813

CCCCCCN1CCC(C)(c2cccc(-c3nc[nH]n3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
OPRM1 P35372 1/20 0.40

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
SCHEMBL6603040 0.86 SIGMAR1 (0.46) SIGMAR1OPRM1
SCHEMBL6602829 0.84 OPRM1 (0.47) OPRM1
SCHEMBL6603218 0.81 DRD2 (0.47) DRD3SIGMAR1OPRM1
SCHEMBL6607339 0.79 DRD3 (0.42) DRD3SIGMAR1OPRM1
SCHEMBL6655150 0.75 DRD3 (0.69) DRD3OPRM1
SCHEMBL6655519 0.75 DRD3 (0.50) DRD3SIGMAR1OPRM1
SCHEMBL6658680 0.69 OPRM1 (0.46) DRD3SIGMAR1OPRM1
SCHEMBL6654627 0.69 OPRM1 (0.51) DRD3OPRM1
SCHEMBL6657899 0.69 DRD3 (0.47) DRD3OPRM1
SCHEMBL6656866 0.69 DRD3 (0.47) DRD3OPRM1

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 136/4885SIGMAR1 51/4885OPRM1 9/4885

“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.