SCHEMBL513733

SCHEMBL513733

CC(C)(C)OC(=O)N1CCC/C(=C\c2noc(-c3ccccc3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
GPR119 Q8TDV5 2/20 0.43
GRM5 P41594 1/20 0.43
GBA1 P04062 2/20 0.42
SCD5 Q86SK9 1/20 0.41
USP30 Q70CQ3 2/20 0.40
HDAC4 P56524 1/20 0.39
AVPR1A P37288 1/20 0.39
ACKR3 P25106 2/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL513734 1.00 CKS1B (0.44) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL514962 0.96 GPR119 (0.46) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL512326 0.90 GPR119 (0.42) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL512327 0.90 GPR119 (0.42) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL512855 0.90 GPR119 (0.42) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL513481 0.86 GPR119 (0.43) CKS1BSKP1SKP2GPR119GBA1
SCHEMBL513177 0.78 HDAC4 (0.53) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL7497291 0.76 GRM5 (0.44) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL7497285 0.76 GRM5 (0.44) CKS1BSKP1SKP2GPR119GRM5
SCHEMBL387529 0.75 CKS1B (0.56) CKS1BSKP1SKP2GPR119GBA1

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 CKS1B 1061/4885SKP1 2871/4885SKP2 3614/4885

“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.