SCHEMBL6655436

SCHEMBL6655436

CC(C)(O)C(=O)Nc1c[c]ccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 9/20 0.44
PDK2 Q15119 9/20 0.44
PDK3 Q15120 9/20 0.44
PDK4 Q16654 9/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
AR P10275 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP8 P22894 1/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35

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
SCHEMBL2076593 0.88 L3MBTL1 (0.57) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL1418850 0.85 L3MBTL1 (0.40) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL2260731 0.81 L3MBTL1 (0.51) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL5201283 0.80 L3MBTL1 (0.54) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL50031 0.78 HSD17B10 (0.57) L3MBTL1CYP3A4GAAALDH1A1
SCHEMBL3129785 0.77 PDK1 (0.67) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL359513 0.77 NAMPT (0.46)
SCHEMBL11088061 0.77 RAB9A (0.58) NPSR1CYP3A4GAAALDH1A1
SCHEMBL2531539 0.76 EPHX2 (0.41) GAA
SCHEMBL746119 0.75 ALDH1A1 (0.47) ALDH1A1

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 PDK1 3830/4885PDK2 1952/4885PDK3 2843/4885

“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.