SCHEMBL4233395

SCHEMBL4233395

O=C(c1ccc(F)c(F)c1)N1CCCC(c2noc(-c3ccc(F)cn3)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
GRM5 P41594 5/20 0.48
CLPP Q16740 1/20 0.48
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNH2 Q12809 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 1/20 0.43
PROKR1 Q8TCW9 1/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42

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
SCHEMBL4233388 1.00 PDE2A (0.48) PDE2AGRM5CLPPPOLBRAB9A
SCHEMBL4237925 0.92 GRM5 (0.57) GRM5CLPPPOLBRAB9AMEN1
SCHEMBL4237928 0.92 GRM5 (0.57) GRM5CLPPPOLBRAB9AMEN1
SCHEMBL4234144 0.87 HSD11B1 (0.48) PDE2AGRM5CLPPRAB9AL3MBTL1
SCHEMBL4234140 0.87 HSD11B1 (0.48) PDE2AGRM5CLPPRAB9AL3MBTL1
SCHEMBL4226976 0.87 GRM5 (0.58) PDE2AGRM5CLPPPOLBRAB9A
SCHEMBL4226969 0.87 GRM5 (0.58) PDE2AGRM5CLPPPOLBRAB9A
SCHEMBL4236998 0.85 GRM5 (0.51) PDE2AGRM5CLPPPOLBRAB9A
SCHEMBL4637025 0.84 HSD11B1 (0.51) PDE2AGRM5CLPPPOLBMEN1
SCHEMBL4223128 0.83 HSD11B1 (0.50) PDE2AGRM5CLPPPOLBRAB9A

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-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US claimed
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US disclosed
EP-1893606-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-05 EP disclosed
WO-2006123255-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES 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-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM3, GRM2 PDE2A 1152/4885GRM5 1/4885CLPP 4652/4885

“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.