SCHEMBL6654964

SCHEMBL6654964

CCN1CCC(c2cccc(OC(C)C)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.58
ACHE P22303 1/20 0.47
SLC18A3 Q16572 1/20 0.44
SLC6A4 P31645 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
DRD3 P35462 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL8350724 0.84 DRD2 (0.79) DRD2
SCHEMBL23858272 0.80 DRD2 (0.56) DRD2DRD3DRD4
SCHEMBL30228466 0.80 DRD2 (0.56) DRD2DRD3DRD4
SCHEMBL4823943 0.78 DRD2 (0.65) DRD2SLC6A4SIGMAR1DRD3DRD4
SCHEMBL1364503 0.77 HTR2C (0.45) DRD2ACHE
SCHEMBL14999424 0.77 HTR2C (0.69) SLC18A3SIGMAR1
SCHEMBL4828687 0.76 DRD2 (0.67) DRD2SIGMAR1DRD3DRD4
SCHEMBL6656967 0.76 FAAH (0.59)
SCHEMBL4819670 0.75 DRD2 (0.78) DRD2SIGMAR1DRD3DRD4
SCHEMBL28322710 0.75 DRD2 (0.52) DRD2SLC6A4SIGMAR1DRD3DRD4

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-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 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-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 DRD2 134/4885ACHE 3045/4885SLC18A3 1397/4885

“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.