SCHEMBL3436252

SCHEMBL3436252

COC(=O)c1coc([C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
OPRK1 P41145 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
DAGLA Q9Y4D2 1/20 0.36
DYRK1A Q13627 7/20 0.36
GSK3B P49841 5/20 0.36
BACE1 P56817 1/20 0.35
FLT3 P36888 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRKCB P05771 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL2079741 1.00 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3436251 1.00 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2562744 0.95 DAGLA (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21679113 0.87 DAGLA (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13162790 0.87 IRAK4 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21679202 0.84 DAGLA (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3436265 0.83 HCAR2 (0.37) IRAK4DYRK1AGSK3BBACE1PRKCB
SCHEMBL3436264 0.83 HCAR2 (0.37) IRAK4DYRK1AGSK3BBACE1PRKCB
SCHEMBL3558644 0.83 HCAR2 (0.37) IRAK4DYRK1AGSK3BBACE1PRKCB
SCHEMBL18781837 0.82 DYRK1A (0.37) OPRK1IRAK4DAGLADYRK1AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CHRM2 637/4885CHRM4 587/4885CHRM5 896/4885

“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.