Sugi Predict

Sugi Predict / Compounds / SCHEMBL5345145

SCHEMBL5345145

SCHEMBL5345145

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ ASAH1 Q13510 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ACER2 Q5QJU3 1/20 0.32
▸ BCHE P06276 3/20 0.32
▸ ACHE P22303 3/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ UGCG Q16739 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ LTB4R Q15722 1/20 0.30
▸ LTB4R2 Q9NPC1 1/20 0.30

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
SCHEMBL27578300 0.99 ASAH1 (0.34) HTTASAH1ALDH1A1ACER2BCHE
SCHEMBL5341797 0.98 HTT (0.34) HTTASAH1ALDH1A1ACER2BCHE
SCHEMBL6322560 0.94 ASAH1 (0.39) ASAH1ALDH1A1ACER2CYP3A4CYP2C19
SCHEMBL5353310 0.94 HTT (0.33) HTTALDH1A1CYP3A4CYP2C19FFAR1
SCHEMBL6324729 0.94 ASAH1 (0.40) ASAH1ALDH1A1ACER2CYP3A4CYP2C19
SCHEMBL7123674 0.94 ASAH1 (0.40) ASAH1ALDH1A1ACER2CYP3A4CYP2C19
SCHEMBL14590813 0.94 ASAH1 (0.40) ASAH1ALDH1A1ACER2CYP3A4CYP2C19
SCHEMBL6320903 0.94 ASAH1 (0.40) ASAH1ALDH1A1ACER2CYP3A4CYP2C19
SCHEMBL14590812 0.94 ASAH1 (0.40) ASAH1ALDH1A1ACER2CYP3A4CYP2C19
SCHEMBL6329147 0.94 ASAH1 (0.40) ASAH1ALDH1A1ACER2CYP3A4CYP2C19

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 3742/4885ASAH1 1809/4885ALDH1A1 310/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885ASAH1 1809/4885ALDH1A1 310/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 HTT 3742/4885ASAH1 1809/4885ALDH1A1 310/4885

“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.