SCHEMBL514361

SCHEMBL514361

CC(C)c1noc(C=C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
HDAC4 P56524 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCD5 Q86SK9 1/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
GRAMD1A Q96CP6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL513293 0.84 GRM5 (0.46) GRM5HDAC4USP2SMN1; SMN2SCD5
SCHEMBL513177 0.78 HDAC4 (0.53) GRM5HDAC4SMN1; SMN2MAPTSCD5
SCHEMBL513744 0.75 GBA1 (0.51) GRM5HDAC4HTTATMNPC1
SCHEMBL12069832 0.74 EPHX2 (0.51) SMN1; SMN2HTTNPC1ALDH1A1MAPT
SCHEMBL513325 0.73 KCNH2 (0.49) GRM5HDAC4KMT2A
SCHEMBL12069925 0.73 USP2 (0.40) HDAC4USP2SMN1; SMN2HTTATM
SCHEMBL26690747 0.73 PDK4 (0.48) GRM5GPR119
SCHEMBL21723194 0.72 GRM5 (0.43) GRM5USP2SMN1; SMN2MAPTRECQL
SCHEMBL513815 0.71 GRM5 (0.47) GRM5USP2SMN1; SMN2SCD5GPR119
SCHEMBL24673913 0.69 USP2 (0.51) GRM5USP2SMN1; SMN2ALDH1A1MAPT

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 GRM5 2/4885HDAC4 2754/4885USP2 3153/4885

“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.