SCHEMBL13715809

SCHEMBL13715809

CCCCCCCCCCC1COC2(CC(C)(C)N(OC(C)c3ccccc3)C(C)(C)C2)O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.35
ABCB1 P08183 2/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
CFTR P13569 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
SCHEMBL14379708 1.00 GRM2 (0.35) GRM2ABCB1ALDH1A1OPRM1OPRD1
SCHEMBL13715854 1.00 GRM2 (0.35) GRM2ABCB1ALDH1A1OPRM1OPRD1
SCHEMBL13715814 1.00 GRM2 (0.35) GRM2ABCB1ALDH1A1OPRM1OPRD1
SCHEMBL13715740 0.96 GRM2 (0.33) GRM2
SCHEMBL4987014 0.93 GRM2 (0.32) GRM2
SCHEMBL4983546 0.93 GRM2 (0.32) GRM2
SCHEMBL4985091 0.93 GRM2 (0.32) GRM2
SCHEMBL13715813 0.92 TMEM97 (0.31)
SCHEMBL4985189 0.89 GRM2 (0.30) GRM2
SCHEMBL13715811 0.88 TMEM97 (0.33) ALDH1A1

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080015276-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 GRM2 1950/4885ABCB1 2650/4885ALDH1A1 361/4885

“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.