Sugi Predict

Sugi Predict / Compounds / SCHEMBL6322352

SCHEMBL6322352

SCHEMBL6322352

CCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)N(OC(C)c2ccccc2)C(CC)(CC)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ACER2 Q5QJU3 1/20 0.42
▸ HTT P42858 1/20 0.39
▸ CNR1 P21554 4/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ UGCG Q16739 2/20 0.39
▸ ICMT O60725 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ CERT1 Q9Y5P4 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 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
SCHEMBL14590871 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL6328044 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL6322078 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL14590870 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL6320447 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL6321992 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL14590866 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL6322661 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL14590867 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1
SCHEMBL6322656 1.00 ASAH1 (0.42) ASAH1ALDH1A1ACER2HTTCNR1

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
US-7160966-B2 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2007-01-09 — — US disclosed
US-7160966-B2 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2007-01-09 — — US disclosed
US-20050137416-A1 Process and intermediates for preparing a cyclohexylnitrile SMITHKLINE BEECHAM CORPORATION 2005-06-23 — — US disclosed
US-20030050497-A1 Process and intermediates for preparing a cyclohexylnitrile SMITHKLINE BEECHAM CORPORATION 2003-03-13 — — US 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 (2 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-20050137416-A1 Process and intermediates for preparing a cyclohexylnitrile HPD, PCCA, MCCC2 ASAH1 1714/4885ALDH1A1 1246/4885ACER2 3985/4885
US-20030050497-A1 Process and intermediates for preparing a cyclohexylnitrile HPD, PCCA, MCCC2 ASAH1 1764/4885ALDH1A1 1217/4885ACER2 4031/4885

“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.