SCHEMBL4147656

SCHEMBL4147656

COc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
GRM5 P41594 1/20 0.75
CLPP Q16740 1/20 0.75
POLB P06746 2/20 0.67
RAB9A P51151 1/20 0.65
TSHR P16473 4/20 0.64
HTT P42858 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ATM Q13315 1/20 0.64
MAPK1 P28482 2/20 0.62
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 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
SCHEMBL4147662 1.00 MEN1 (0.77) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192775 0.89 GRM5 (0.84) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192774 0.89 GRM5 (0.84) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192653 0.88 GRM5 (0.80) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192654 0.88 GRM5 (0.80) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192098 0.87 GRM5 (1.00) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL193680 0.87 GRM5 (1.00) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL192099 0.87 GRM5 (1.00) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL8259478 0.86 GRM5 (0.80) MEN1KMT2AGRM5CLPPPOLB
SCHEMBL193390 0.86 GRM5 (0.80) MEN1KMT2AGRM5CLPPPOLB

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 4 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
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 MEN1 4470/4885KMT2A 2454/4885GRM5 1/4885

“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.