SCHEMBL7108901

SCHEMBL7108901

CCC1(CC)CC(NC(=O)CCCCC(=O)OC)CC(C)(C)N1OC(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.35
MAPK8 P45983 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5336945 0.98 HTT (0.39) HTTCYP3A4CYP2C19CYP2D6POLB
SCHEMBL5348570 0.94 HTT (0.40) HTTCYP3A4CYP2C19POLBCA12
SCHEMBL5342019 0.93 HTT (0.40) HTTCYP3A4CYP2C19CYP2D6POLB
SCHEMBL6320870 0.93 ASAH1 (0.40) HTTCYP3A4CYP2C19CYP2D6POLB
SCHEMBL6322352 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL14590866 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL6322661 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL6322078 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL6320447 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL14590867 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US claimed
US-20030166939-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2003-09-04 US claimed
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. 2003-04-03 US claimed
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-6624306-B2 Stabilizer for addition polymer CIBA SPECIALTY CHEMICALS CORPORATION 2003-09-23 US disclosed
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. 2003-04-03 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-20030166939-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885CYP3A4 1111/4885CYP2C19 2112/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885CYP3A4 1111/4885CYP2C19 2112/4885

“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.