SCHEMBL4227435

SCHEMBL4227435

O=C(c1ccc(F)nc1)N1CCCC(c2noc(-c3ccncc3)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
GRM5 P41594 1/20 0.47
CLPP Q16740 1/20 0.47
SCN9A Q15858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4227413 0.91 GRM5 (0.57) HSD11B1GRM5CLPPSCN9AL3MBTL1
SCHEMBL4227426 0.91 GRM5 (0.57) HSD11B1GRM5CLPPSCN9AL3MBTL1
SCHEMBL4229033 0.91 HSD11B1 (0.61) HSD11B1GRM5CLPPSCN9APOLB
SCHEMBL4233167 0.88 GRM5 (0.60) HSD11B1GRM5CLPPL3MBTL1ATM
SCHEMBL4237045 0.86 HSD11B1 (0.45) HSD11B1GRM5CLPPSCN9AL3MBTL1
SCHEMBL4232213 0.86 HSD11B1 (0.52) HSD11B1GRM5CLPPL3MBTL1ATM
SCHEMBL4228648 0.85 GRM5 (0.49) HSD11B1GRM5CLPPSCN9AL3MBTL1
SCHEMBL8256170 0.85 SCN9A (0.52) HSD11B1GRM5CLPPSCN9AL3MBTL1
SCHEMBL4233173 0.83 MEN1 (0.47) HSD11B1GRM5CLPPSCN9AL3MBTL1
SCHEMBL1969258 0.83 HSD11B1 (0.45) HSD11B1GRM5CLPPSCN9AL3MBTL1

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 7 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
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 HSD11B1 3080/4885GRM5 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.