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SCHEMBL5352140

SCHEMBL5352140

CCOC(=O)NC1CC(C)(CC)N(OC(C)c2ccccc2)C(C)(CC)C1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.35
▸ CYP2C9 P11712 8/20 0.35
▸ TSHR P16473 8/20 0.35
▸ CYP2C19 P33261 7/20 0.35
▸ ALDH1A1 P00352 7/20 0.35
▸ LMNA P02545 6/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP2D6 P10635 5/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL5338461 0.92 CYP3A4 (0.35) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL5345086 0.92 CYP3A4 (0.45) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL5349603 0.89 TACR1 (0.36) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL5341436 0.89 KMT2A (0.35) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL7108040 0.88 HTT (0.32) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL5342912 0.88 TACR1 (0.35) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL5346055 0.88 KMT2A (0.32) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL7106979 0.87 CYP3A4 (0.36) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL5353842 0.87 TDP1 (0.38) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL5345375 0.86 KDM1A (0.34) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1

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 1680/4885TSHR 4818/4885
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 CYP3A4 1111/4885CYP2C9 1680/4885TSHR 4818/4885
US-20030065184-A1 2,2,6,6 diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 CYP3A4 1111/4885CYP2C9 1680/4885TSHR 4818/4885

“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.