SCHEMBL5345143

SCHEMBL5345143

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.45
TSHR P16473 11/20 0.45
CYP2C9 P11712 10/20 0.45
ALDH1A1 P00352 9/20 0.45
CYP2C19 P33261 9/20 0.45
LMNA P02545 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2D6 P10635 6/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41

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 0.91 POLB (0.38) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL5344532 0.89 POLB (0.40) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL5346731 0.86 TACR1 (0.43) CYP3A4TSHRCYP2C19LMNAKMT2A
SCHEMBL5342739 0.85 KMT2A (0.41) KMT2AHTTCTSK
SCHEMBL5347709 0.85 POLB (0.40) CYP3A4TSHRCYP2C19LMNAMEN1
SCHEMBL5353821 0.85 POLB (0.40) CYP3A4TSHRCYP2C19LMNAKMT2A
SCHEMBL5347316 0.85 HTT (0.43) CYP3A4TSHRCYP2C19MEN1KMT2A
SCHEMBL5341114 0.84 EZH2 (0.43) KMT2AGAAHTT
SCHEMBL5347456 0.84 POLB (0.39) CYP3A4TSHRCYP2C9ALDH1A1CYP2C19
SCHEMBL5338614 0.83 EPHX1 (0.50) CYP3A4TSHRALDH1A1CYP2C19LMNA

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

“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.