SCHEMBL5564732

SCHEMBL5564732

CC(ON1C(C)(C)CC2(CC1(C)C)OCCCO2)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP2 P08253 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
CYP2D6 P10635 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL13715883 0.99 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1MMP2NPSR1
SCHEMBL5566515 0.96 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL4981840 0.89 ALDH1A1 (0.34) ALDH1A1TSHRL3MBTL1
SCHEMBL13715850 0.89 CYP2D6 (0.31) NPSR1CYP2D6GPR55ADRA2AADRA2B
SCHEMBL7475069 0.87 CYP2D6 (0.30) CYP2D6
SCHEMBL13715800 0.87 HSD11B1 (0.31) CYP2D6
SCHEMBL5565751 0.85 BRD4 (0.30)
SCHEMBL4978996 0.84 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL13715775 0.83 CYP2D6 (0.31) NPSR1CYP2D6GPR55ADRA2AADRA2B
SCHEMBL13715856 0.83 POLB (0.37) ALDH1A1TSHRL3MBTL1LMNA

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 ALDH1A1 369/4885TSHR 4785/4885L3MBTL1 3113/4885
US-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 ALDH1A1 361/4885TSHR 4783/4885L3MBTL1 3335/4885

“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.