SCHEMBL4131124

SCHEMBL4131124

O=C(c1ccc(F)c(F)c1)N1CCCC(c2nc(-c3ccccn3)no2)C1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.67
HSD11B1 P28845 3/20 0.60
CLPP Q16740 1/20 0.58
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL4131115 1.00 GRM5 (0.67) GRM5HSD11B1CLPPRAB9ANPC1
SCHEMBL193609 0.90 GRM5 (0.73) GRM5HSD11B1CLPPRAB9ANPC1
SCHEMBL193610 0.90 GRM5 (0.73) GRM5HSD11B1CLPPRAB9ANPC1
SCHEMBL192970 0.87 HSD11B1 (0.77) GRM5HSD11B1CLPPRAB9APOLB
SCHEMBL192971 0.87 HSD11B1 (0.77) GRM5HSD11B1CLPPRAB9APOLB
SCHEMBL2600297 0.87 GRM5 (0.62) GRM5HSD11B1CLPPRAB9ANPC1
SCHEMBL4143678 0.85 MEN1 (0.74) GRM5HSD11B1CLPPRAB9AALDH1A1
SCHEMBL4143674 0.85 MEN1 (0.74) GRM5HSD11B1CLPPRAB9AALDH1A1
SCHEMBL3591534 0.85 PDE2A (0.49) GRM5HSD11B1CLPPRAB9AL3MBTL1
SCHEMBL3591531 0.85 PDE2A (0.49) GRM5HSD11B1CLPPRAB9AL3MBTL1

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 6 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 claimed
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 claimed
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 claimed
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 3098/4885CLPP 4656/4885

“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.