SCHEMBL2079988

SCHEMBL2079988

COC(=O)c1coc([C@H]2CCCN2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.36
OPRK1 P41145 1/20 0.35
CHRM5 P08912 5/20 0.34
CHRM3 P20309 5/20 0.34
CHRM2 P08172 5/20 0.34
CHRM1 P11229 4/20 0.34
CHRM4 P08173 4/20 0.34
DAGLA Q9Y4D2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PARP1 P09874 2/20 0.33

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
SCHEMBL3436250 1.00 CREBBP (0.36) CREBBPOPRK1CHRM5CHRM3CHRM2
SCHEMBL670852 0.83 CHRM5 (0.37) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL13387580 0.83 CHRM5 (0.37) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL670851 0.83 CHRM5 (0.37) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL2562744 0.78 DAGLA (0.39) OPRK1CHRM5CHRM3CHRM2CHRM1
SCHEMBL671480 0.75 TBXA2R (0.48) ALDH1A1SMN1; SMN2
SCHEMBL18781837 0.74 DYRK1A (0.37) OPRK1DAGLAALOX5APFEN1
SCHEMBL3436252 0.74 CHRM2 (0.37) OPRK1CHRM5CHRM3CHRM2CHRM1
SCHEMBL2079741 0.74 CHRM2 (0.37) OPRK1CHRM5CHRM3CHRM2CHRM1
SCHEMBL3436251 0.74 CHRM2 (0.37) OPRK1CHRM5CHRM3CHRM2CHRM1

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 CREBBP 2152/4885OPRK1 237/4885CHRM5 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.