SCHEMBL6656340

SCHEMBL6656340

CCCC1(c2cccc(O)c2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
SLC6A4 P31645 2/20 0.46
CYP2D6 P10635 2/20 0.46
OPRM1 P35372 2/20 0.46
SLC22A1 O15245 1/20 0.46
CHRM2 P08172 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.40
TACR1 P25103 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
SCHEMBL23333048 0.88 ACHE (0.55) ACHESLC6A4CYP2D6OPRM1SLC22A1
SCHEMBL21770897 0.80 TACR1 (0.53) SLC6A4CYP2D6OPRM1SLC6A2SLC6A3
SCHEMBL11636242 0.78 SLC6A2 (0.52) ACHESLC6A4CYP2D6OPRM1SLC22A1
SCHEMBL6601890 0.76 OPRD1 (0.63) OPRM1OPRD1OPRK1
Profadol SCHEMBL160670 0.75 ACHE (0.66) ACHESLC6A4CYP2D6OPRM1SLC22A1
SCHEMBL7876407 0.75 OPRM1 (0.46) OPRM1OPRK1
SCHEMBL7876411 0.75 OPRM1 (0.46) OPRM1OPRK1
SCHEMBL7876410 0.75 OPRM1 (0.46) OPRM1OPRK1
Profadol SCHEMBL122313 0.74 ACHE (0.64) ACHESLC6A4CYP2D6OPRM1SLC22A1
SCHEMBL6654583 0.74 DRD3 (0.66) ACHEOPRM1

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 ACHE 3045/4885SLC6A4 1118/4885CYP2D6 370/4885

“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.