SCHEMBL513237

SCHEMBL513237

CC(C)(C)OC(=O)N1CCC(=Cc2ccc3ncsc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 14/20 0.60
DYRK1A Q13627 14/20 0.60
DYRK1B Q9Y463 14/20 0.60
CLK4 Q9HAZ1 12/20 0.60
CLK2 P49760 11/20 0.60
CLK3 P49761 9/20 0.60
GSK3B P49841 6/20 0.60
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CLK1 P49759 12/20 0.44
DYRK3 O43781 9/20 0.41
DYRK4 Q9NR20 6/20 0.41
PIK3CD O00329 1/20 0.41
PRKCB P05771 1/20 0.41
CSNK2A2 P19784 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HASPIN Q8TF76 1/20 0.41

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
SCHEMBL18280035 0.79 GRM5 (0.43) DYRK2DYRK1ADYRK1BCLK4CLK2
SCHEMBL4959967 0.76 ESR2 (0.46) GRM5
SCHEMBL18280097 0.76 GRM5 (0.46) GRM5
SCHEMBL29826757 0.76 JAK2 (0.43) DYRK2DYRK1ADYRK1BCLK4CLK2
SCHEMBL23970345 0.75 CLK4 (0.60) DYRK2DYRK1ADYRK1BCLK4CLK2
SCHEMBL3642719 0.75 GRM5 (0.47) GRM5
SCHEMBL1009267 0.75 ESR2 (0.53) GRM5
SCHEMBL14720896 0.74 GRM5 (0.46) GRM5
SCHEMBL1870570 0.74 NR1H2 (0.54) GRM5
SCHEMBL5497099 0.74 MEN1 (0.55) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 DYRK2 587/4885DYRK1A 840/4885DYRK1B 723/4885

“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.