SCHEMBL6603056

SCHEMBL6603056

CCCCCC(=O)N1CCC(C)(c2cccc(-c3cnco3)c2)C(C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 5/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9262384 0.80 OPRM1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL6482177 0.80 OPRM1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL6602880 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL6486591 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL6486007 0.77 OPRM1 (0.44) OPRM1OPRD1OPRK1
SCHEMBL6601869 0.77 OPRM1 (0.35) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL6492607 0.77 OPRM1 (0.58) OPRM1OPRD1OPRK1
SCHEMBL6601892 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL6605754 0.76 OPRM1 (0.35) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL6601998 0.75 OPRM1 (0.43) OPRM1OPRD1OPRK1

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 OPRM1 9/4885OPRD1 4/4885OPRK1 11/4885

“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.