SCHEMBL4229033

SCHEMBL4229033

O=C(c1ccc(F)nc1)N1CCCC(c2noc(-c3ccccc3)n2)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.61
SCN9A Q15858 2/20 0.51
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GRM5 P41594 1/20 0.48
CLPP Q16740 1/20 0.48
MGLL Q99685 1/20 0.45

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
SCHEMBL4227426 0.92 GRM5 (0.57) HSD11B1SCN9APOLBGRM5CLPP
SCHEMBL4227413 0.92 GRM5 (0.57) HSD11B1SCN9APOLBGRM5CLPP
SCHEMBL4227435 0.91 HSD11B1 (0.51) HSD11B1SCN9APOLBGRM5CLPP
SCHEMBL8256170 0.90 SCN9A (0.52) HSD11B1SCN9APOLBGRM5CLPP
SCHEMBL4235370 0.88 HSD11B1 (0.65) HSD11B1POLBCASP3SENP7SENP6
SCHEMBL4228648 0.88 GRM5 (0.49) HSD11B1SCN9AGRM5CLPP
SCHEMBL4227825 0.85 HSD11B1 (0.62) HSD11B1POLBCASP3SENP7SENP6
SCHEMBL1969263 0.85 HSD11B1 (0.45) HSD11B1SCN9APOLBGRM5CLPP
SCHEMBL4237045 0.85 HSD11B1 (0.45) HSD11B1SCN9APOLBGRM5CLPP
SCHEMBL1969258 0.85 HSD11B1 (0.45) HSD11B1SCN9APOLBGRM5CLPP

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 9 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
EP-1893606-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-05 EP claimed
WO-2006123255-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO 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 3080/4885SCN9A 1759/4885POLB 2877/4885

“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.