SCHEMBL512844

SCHEMBL512844

Cc1ccc2oc(C=C3CCN(C(=O)OC(C)(C)C)CC3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
GPR119 Q8TDV5 7/20 0.41
ESR2 Q92731 1/20 0.39
NR1H2 P55055 1/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL513725 0.87 MMP13 (0.48) GRM5GPR119ESR2NR1H2USP2
SCHEMBL20971857 0.76 GRM5 (0.45) GRM5GPR119ESR2NR1H2KMT2A
SCHEMBL4857164 0.75 GPR119 (0.53) GRM5GPR119ESR2NR1H2KMT2A
SCHEMBL513815 0.74 GRM5 (0.47) GRM5GPR119ESR2NR1H2USP2
SCHEMBL7868104 0.71 ESR2 (0.63) GRM5GPR119ESR2NR1H2KMT2A
SCHEMBL513856 0.71 APP (0.44)
SCHEMBL1473227 0.70 GPR119 (0.51) GRM5GPR119ESR2NR1H2
SCHEMBL3642719 0.69 GRM5 (0.47) GRM5GPR119ESR2NR1H2
SCHEMBL31215612 0.69 GPR119 (0.46) GPR119
SCHEMBL1009267 0.69 ESR2 (0.53) GRM5GPR119ESR2NR1H2

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 2/4885GPR119 674/4885ESR2 2307/4885

“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.