SCHEMBL513815

SCHEMBL513815

Cc1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)on1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
NR1H2 P55055 1/20 0.39
SCD5 Q86SK9 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA3 P32297 2/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL16051113 0.77 GRM5 (0.48) GRM5USP2SMN1; SMN2ESR2GPR119
SCHEMBL513293 0.77 GRM5 (0.46) GRM5USP2SMN1; SMN2ESR2GPR119
Oxalic Acid SCHEMBL8009465 0.76 CHRNB2 (0.43) CHRNB2CHRNA3
SCHEMBL7994340 0.74 CHRNB2 (0.49) CHRNB2CHRNA3
SCHEMBL512844 0.74 GRM5 (0.44) GRM5USP2SMN1; SMN2ESR2GPR119
SCHEMBL18280035 0.73 GRM5 (0.43) GRM5USP2SMN1; SMN2ESR2GPR119
SCHEMBL513725 0.73 MMP13 (0.48) GRM5USP2SMN1; SMN2ESR2GPR119
SCHEMBL31247165 0.72 KDM4E (0.52) GPR119
SCHEMBL31227423 0.72 GRM1 (0.48) GRM5GPR119
SCHEMBL16113568 0.72 GRM5 (0.43) GRM5USP2SMN1; SMN2ESR2GPR119

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 GRM5 2/4885USP2 3153/4885SMN1; SMN2 411/4885

“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.