SCHEMBL4226622

SCHEMBL4226622

O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2noc(-c3ccncc3F)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.48
GRM5 P41594 3/20 0.45
GHSR Q92847 2/20 0.44
CLPP Q16740 1/20 0.43
HSD11B1 P28845 2/20 0.43
RAB9A P51151 1/20 0.42
PROKR1 Q8TCW9 1/20 0.41
POLB P06746 1/20 0.41
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4226630 1.00 PDE2A (0.48) PDE2AGRM5GHSRCLPPHSD11B1
SCHEMBL4229669 0.91 GRM5 (0.54) GRM5CLPPHSD11B1RAB9APOLB
SCHEMBL4229677 0.91 GRM5 (0.54) GRM5CLPPHSD11B1RAB9APOLB
SCHEMBL4223128 0.89 HSD11B1 (0.50) PDE2AGRM5CLPPHSD11B1RAB9A
SCHEMBL4232213 0.88 HSD11B1 (0.52) PDE2AGRM5CLPPHSD11B1RAB9A
SCHEMBL4236998 0.87 GRM5 (0.51) PDE2AGRM5CLPPHSD11B1RAB9A
SCHEMBL4227825 0.83 HSD11B1 (0.62) PDE2AGRM5CLPPHSD11B1RAB9A
SCHEMBL4226969 0.83 GRM5 (0.58) PDE2AGRM5CLPPHSD11B1RAB9A
SCHEMBL4226976 0.83 GRM5 (0.58) PDE2AGRM5CLPPHSD11B1RAB9A
SCHEMBL4233388 0.82 PDE2A (0.48) PDE2AGRM5CLPPHSD11B1RAB9A

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-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US disclosed
US-20090215822-A1 Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NIKEM RESEARCH SRL (IT) 2009-08-27 US disclosed
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
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 1/4885GHSR 224/4885

“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.