SCHEMBL513799

SCHEMBL513799

CC(C)(C)OC(=O)N1CCC(=Cc2cnnn2-c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
GRM5 P41594 3/20 0.46
GRM1 Q13255 2/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 3/20 0.45
THRB P10828 2/20 0.45
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1473227 0.78 GPR119 (0.51) GPR119GRM5GRM1CKS1BSKP1
SCHEMBL512857 0.78 GRM1 (0.61) GPR119GRM5GRM1
SCHEMBL8613189 0.76 GRM1 (0.62) GPR119GRM5GRM1
SCHEMBL18280165 0.74 USP30 (0.47) GPR119GRM5CKS1BSKP1SKP2
SCHEMBL15057408 0.74 GPR119 (0.47) GPR119GRM5GRM1POLBCKS1B
SCHEMBL18279996 0.73 GPR119 (0.46) GPR119GRM5LMNACKS1BSKP1
SCHEMBL15051069 0.73 GPR119 (0.53) GPR119GRM5GRM1POLBMAPT
SCHEMBL16825145 0.72 GRM5 (0.47) GPR119GRM5GRM1MAPTMEN1
SCHEMBL7971750 0.72 ESR2 (0.48) GPR119GRM5POLBLMNAMAPT
SCHEMBL6382839 0.72 GRM5 (0.47) GPR119GRM5POLBLMNAUSP2

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 GPR119 674/4885GRM5 2/4885GRM1 6/4885

“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.