Sugi Predict

Sugi Predict / Compounds / SCHEMBL5355545

SCHEMBL5355545

SCHEMBL5355545

CCC1(C)CC(OC(=O)OCc2ccccc2)C(C)C(C)(CC)N1OC(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 19/20 0.40
▸ CYP2C9 P11712 16/20 0.40
▸ CYP2C19 P33261 15/20 0.40
▸ TSHR P16473 11/20 0.40
▸ ALDH1A1 P00352 11/20 0.40
▸ LMNA P02545 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP1A2 P05177 13/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2D6 P10635 12/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL5346730 0.91 TSHR (0.34) CYP3A4CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL5340543 0.89 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL886987 0.86 KMT2A (0.36) CYP3A4TSHRALDH1A1LMNAMEN1
SCHEMBL5345008 0.86 KMT2A (0.33) LMNAKMT2ACYP2D6
SCHEMBL5336900 0.85 BCHE (0.35) CYP3A4LMNAMEN1KMT2ACYP1A2
SCHEMBL27570117 0.85 CYP2D6 (0.33) CYP3A4LMNAMEN1KMT2ACYP1A2
SCHEMBL14590798 0.84 BCHE (0.39) TSHRKMT2A
SCHEMBL5348395 0.83 BCHE (0.36) CYP3A4CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL5341930 0.83 CHRNB2 (0.34) CYP3A4LMNAMEN1KMT2ACYP1A2
SCHEMBL5341659 0.83 SLC18A3 (0.37) CYP3A4LMNAMEN1KMT2ACYP1A2

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 CYP3A4 1111/4885CYP2C9 1680/4885CYP2C19 2112/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 CYP3A4 1111/4885CYP2C9 1680/4885CYP2C19 2112/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 CYP3A4 1111/4885CYP2C9 1680/4885CYP2C19 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.