Sugi Predict

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SCHEMBL5337354

SCHEMBL5337354

CCC1(CC)CC(NC(=O)CCCC(=O)O)CC(C)(C)N1OC(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ AGTR2 P50052 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ TACR3 P29371 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
SCHEMBL5342019 0.98 HTT (0.40) HTTPOLBMAPK8CYP3A4CYP2C19
SCHEMBL5346892 0.95 HTT (0.41) HTTPOLBMAPK8CYP3A4CYP2C19
SCHEMBL14590865 0.94 HTT (0.40) HTTPOLBMAPK8CYP3A4CYP2C19
SCHEMBL5336945 0.93 HTT (0.39) HTTPOLBMAPK8CYP3A4CYP2C19
SCHEMBL6320870 0.93 ASAH1 (0.40) HTTPOLBMAPK8CYP3A4CYP2C19
SCHEMBL5341639 0.93 MAPT (0.41) HTTPOLBMAPK8CYP3A4CYP2C19
SCHEMBL6322352 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6KMT2A
SCHEMBL14590867 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6KMT2A
SCHEMBL14590870 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6KMT2A
SCHEMBL6322661 0.92 ASAH1 (0.42) HTTCYP3A4CYP2C19CYP2D6KMT2A

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 10 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
CN-1319590-A 2,2,6,6, diethyl-dimethy-1-alkoxy-piperidine compound and 1-oxide CIBA SC HOLDING AG (CH) 2001-10-31 — — CN 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-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-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2005-06-30 — — 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 (3 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 3742/4885POLB 465/4885MAPK8 4387/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885POLB 465/4885MAPK8 4387/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885POLB 465/4885MAPK8 4387/4885

“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.