SCHEMBL4983482

SCHEMBL4983482

CCC1(CC)CC2(CC(C)(C)N1O)OCC(COC(=O)c1ccc(C(=O)OCC3COC4(CC(C)(C)N(O)C(CC)(CC)C4)O3)cc1)O2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA5 P30532 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4982351 0.87 PDK1 (0.31)
SCHEMBL11450306 0.81 NPC1 (0.48) POLBNPC1ALDH1A1MAPK1CHRNB2
SCHEMBL3930168 0.81
SCHEMBL5559670 0.80 POLB (0.36) HTR7POLBNPC1ALDH1A1MAPK1
SCHEMBL11468691 0.80 POLB (0.37) HTR7POLBHPGDNPC1ALDH1A1
SCHEMBL11467404 0.80 GAA (0.39) HTR7POLBNPC1ALDH1A1MAPK1
SCHEMBL3927065 0.79
SCHEMBL13715956 0.79 NPC1 (0.37) HTR7POLBNPC1ALDH1A1MAPK1
SCHEMBL977073 0.78 GRM2 (0.31) HTR7NPC1
SCHEMBL6872127 0.78 SMN1; SMN2 (0.37) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20040082742-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding n-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. 2004-04-29 US claimed
EP-1343827-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH Ciba SC Holding AG (CH) 2003-09-17 EP claimed
WO-2002048205-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO claimed

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 HTR7 1799/4885POLB 500/4885HPGD 433/4885

“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.