SCHEMBL4227442

SCHEMBL4227442

Cc1cc(F)ccc1C(=O)N1CCCC(c2noc(-c3ccc(F)cc3F)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD11B1 P28845 4/20 0.52
PDE2A O00408 4/20 0.52
NPSR1 Q6W5P4 1/20 0.50
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
RAB9A P51151 1/20 0.45
GRM5 P41594 1/20 0.44
CLPP Q16740 1/20 0.44

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
SCHEMBL4228318 0.94 HSD11B1 (0.56) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4223038 0.92 MEN1 (0.61) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4233373 0.89 HSD11B1 (0.61) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4223992 0.89 GRM5 (0.57) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4233101 0.88 HSD11B1 (0.50) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4232158 0.87 HSD11B1 (0.69) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4233351 0.87 MEN1 (0.59) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4226648 0.86 HSD11B1 (0.58) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL4236998 0.86 GRM5 (0.51) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL1970968 0.84 HSD11B1 (0.51) ALDH1A1LMNATSHRHTTSMN1; SMN2

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 ALDH1A1 3912/4885LMNA 4736/4885TSHR 499/4885

“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.