SCHEMBL4131148

SCHEMBL4131148

CC(C)(C)OC(=O)N1CCCC(c2nc(-c3cnccn3)no2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.56
HSD11B1 P28845 6/20 0.48
EPHX2 P34913 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
GPR119 Q8TDV5 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4131142 1.00 GRM5 (0.56) GRM5HSD11B1EPHX2KCNH2ALDH1A1
SCHEMBL193072 0.86 GRM5 (0.69) GRM5HSD11B1EPHX2KCNH2ALDH1A1
SCHEMBL193071 0.86 GRM5 (0.69) GRM5HSD11B1EPHX2KCNH2ALDH1A1
SCHEMBL192547 0.84 PPARA (0.58) GRM5HSD11B1ALDH1A1TP53SMN1; SMN2
SCHEMBL192546 0.84 PPARA (0.58) GRM5HSD11B1ALDH1A1TP53SMN1; SMN2
SCHEMBL192618 0.83 GPR119 (0.59) GRM5HSD11B1ALDH1A1TSHRGPR119
SCHEMBL192619 0.83 GPR119 (0.59) GRM5HSD11B1ALDH1A1TSHRGPR119
SCHEMBL4142458 0.83 GRM5 (0.47) GRM5HSD11B1ALDH1A1TSHRNPC1
SCHEMBL4142455 0.83 GRM5 (0.47) GRM5HSD11B1ALDH1A1TSHRNPC1
SCHEMBL4138850 0.81 GRM5 (0.52) GRM5HSD11B1ALDH1A1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US disclosed
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP disclosed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO 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-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM3 GRM5 1/4885HSD11B1 3098/4885EPHX2 3645/4885

“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.