SCHEMBL5560359

SCHEMBL5560359

CC(ON1C(C)(C)CC(OC2CCCCC2)(OC2CCCCC2)CC1(C)C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM3 P20309 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 2/20 0.31
OPRM1 P35372 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL4979006 0.90 CYP3A4 (0.32) CYP3A4CYP2D6
SCHEMBL13715983 0.81 CYP3A4 (0.32) GAAL3MBTL1IDO1ALDH1A1MCOLN3
SCHEMBL978468 0.79 TP53 (0.37) GAAALDH1A1CYP3A4OPRM1HRH3
SCHEMBL5560153 0.79 OPRM1 (0.34) NPSR1CYP2D6OPRM1ADRA2AOPRD1
SCHEMBL682099 0.77 CYP2D6 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL13715777 0.77 L3MBTL1 (0.37) GAAL3MBTL1IDO1ALDH1A1CHRM2
SCHEMBL13715732 0.76 OPRM1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19OPRM1
SCHEMBL5564952 0.76 OPRM1 (0.38) GAAL3MBTL1NPSR1CYP2D6OPRM1
SCHEMBL14379721 0.76
SCHEMBL4984507 0.75 NPSR1 (0.33) NPSR1CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572869-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2009-08-11 US disclosed
US-7572869-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2009-08-11 US disclosed
US-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith NESVADBA PETER 2008-01-17 US disclosed
US-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith NESVADBA PETER 2008-01-17 US disclosed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 US disclosed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 US disclosed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 US disclosed
US-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith NESVADBA PETER 2006-07-06 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 (2 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-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 GAA 4059/4885L3MBTL1 3113/4885IDO1 927/4885
US-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 GAA 3992/4885L3MBTL1 3335/4885IDO1 972/4885

“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.