SCHEMBL513177

SCHEMBL513177

CC(C)(C)OC(=O)N1CCC(=Cc2nc(-c3ccccc3)no2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.53
GPR119 Q8TDV5 3/20 0.47
GRM5 P41594 1/20 0.45
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
KMT2A Q03164 1/20 0.44
SCD5 Q86SK9 1/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC1 Q13547 1/20 0.43
HPGDS O60760 1/20 0.43
GBA1 P04062 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL513325 0.88 KCNH2 (0.49) HDAC4GRM5KMT2A
SCHEMBL513744 0.84 GBA1 (0.51) HDAC4GPR119GRM5GBA1MAPT
SCHEMBL514962 0.81 GPR119 (0.46) HDAC4GPR119GRM5CKS1BSKP1
SCHEMBL513293 0.81 GRM5 (0.46) HDAC4GPR119GRM5KMT2ASCD5
SCHEMBL514361 0.78 GRM5 (0.41) HDAC4GPR119GRM5KMT2ASCD5
SCHEMBL17100788 0.78 MAPT (0.57) HDAC4GPR119CKS1BSKP1SKP2
SCHEMBL513733 0.78 CKS1B (0.44) HDAC4GPR119GRM5CKS1BSKP1
SCHEMBL513734 0.78 CKS1B (0.44) HDAC4GPR119GRM5CKS1BSKP1
SCHEMBL18280165 0.77 USP30 (0.47) GPR119GRM5CKS1BSKP1SKP2
SCHEMBL1473227 0.76 GPR119 (0.51) GPR119GRM5CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
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 HDAC4 2754/4885GPR119 674/4885GRM5 2/4885

“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.