SCHEMBL4136804

SCHEMBL4136804

Cc1sccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.72
CLPP Q16740 1/20 0.72
TSHR P16473 4/20 0.71
PKM P14618 1/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HSD11B1 P28845 2/20 0.70
ALDH1A1 P00352 3/20 0.69
LMNA P02545 3/20 0.69
HTT P42858 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
POLB P06746 1/20 0.66
NPSR1 Q6W5P4 2/20 0.63
MAPK1 P28482 2/20 0.62
RAB9A P51151 1/20 0.62
MAPT P10636 1/20 0.62
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL4136807 1.00 GRM5 (0.72) GRM5CLPPTSHRPKMMEN1
SCHEMBL4144692 0.89 GRM5 (0.72) GRM5CLPPTSHRPKMMEN1
SCHEMBL4144694 0.89 GRM5 (0.72) GRM5CLPPTSHRPKMMEN1
SCHEMBL194463 0.87 GRM5 (0.72) GRM5CLPPTSHRPKMMEN1
SCHEMBL194464 0.87 GRM5 (0.72) GRM5CLPPTSHRPKMMEN1
SCHEMBL4151222 0.85 MEN1 (0.82) GRM5CLPPTSHRPKMMEN1
SCHEMBL4144201 0.85 HSD11B1 (0.85) GRM5CLPPTSHRPKMMEN1
SCHEMBL4151228 0.85 MEN1 (0.82) GRM5CLPPTSHRPKMMEN1
SCHEMBL4144196 0.85 HSD11B1 (0.85) GRM5CLPPTSHRPKMMEN1
SCHEMBL4146813 0.84 GRM5 (0.73) GRM5CLPPTSHRPKMMEN1

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 8 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
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
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 1/4885CLPP 4656/4885TSHR 560/4885

“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.