Sugi Predict

Sugi Predict / Compounds / SCHEMBL5344532

SCHEMBL5344532

SCHEMBL5344532

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ CCR5 P51681 1/20 0.35
▸ TSHR P16473 6/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ LMNA P02545 4/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL5344992 0.92 POLB (0.38) POLBHTTTSHRCYP3A4CYP2C19
SCHEMBL5346731 0.90 TACR1 (0.43) POLBHTTTSHRCYP3A4CYP2C19
SCHEMBL5342739 0.90 KMT2A (0.41) POLBHTTCCR5KMT2ATACR1
SCHEMBL5344713 0.90 POLB (0.38) POLBHTTTSHRCYP3A4CYP2C19
SCHEMBL5353821 0.89 POLB (0.40) POLBHTTTSHRCYP3A4CYP2C19
SCHEMBL5347709 0.89 POLB (0.40) POLBHTTTSHRCYP3A4CYP2C19
SCHEMBL5347316 0.89 HTT (0.43) POLBHTTTSHRCYP3A4CYP2C19
SCHEMBL5345143 0.89 CYP3A4 (0.45) HTTTSHRCYP3A4CYP2C19LMNA
SCHEMBL5347456 0.88 POLB (0.39) POLBHTTCCR5TSHRCYP3A4
SCHEMBL5341114 0.88 EZH2 (0.43) POLBHTTKMT2AHPGD

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 9 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-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 POLB 465/4885HTT 3742/4885CCR5 1351/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 POLB 465/4885HTT 3742/4885CCR5 1351/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 POLB 465/4885HTT 3742/4885CCR5 1351/4885

“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.