SCHEMBL13715732

SCHEMBL13715732

CC(ON1C(C)(C)CC(OCc2ccccc2)(OCc2ccccc2)CC1(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
TACR1 P25103 4/20 0.35
ALDH1A1 P00352 2/20 0.33
BCHE P06276 2/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
TSHR P16473 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C19 P33261 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4983135 0.90 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1TACR1
SCHEMBL5564952 0.86 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL4984507 0.85 NPSR1 (0.33)
SCHEMBL13716035 0.84 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL975796 0.83 TDP1 (0.42) ALDH1A1BCHECYP3A4TSHRMEN1
SCHEMBL5565406 0.82 L3MBTL1 (0.30) CYP3A4TSHRLMNA
SCHEMBL5559302 0.82 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL5560153 0.81 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1
SCHEMBL7478415 0.80 CTSL (0.43) OPRM1OPRL1TACR1ALDH1A1CYP3A4
SCHEMBL5565802 0.80 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1CYP2C9

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 OPRM1 17/4885OPRD1 6/4885OPRK1 10/4885

“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.