SCHEMBL4142940

SCHEMBL4142940

O=C(c1ccc(F)nc1)N1CCCC(c2nc(-c3ccccc3)no2)C1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.76
GRM5 P41594 1/20 0.70
CLPP Q16740 1/20 0.70
POLB P06746 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
RAB9A P51151 1/20 0.60

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
SCHEMBL4142931 1.00 HSD11B1 (0.76) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL4147603 0.92 GRM5 (0.83) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL4133556 0.92 GRM5 (0.83) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL4147608 0.89 GRM5 (0.60) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL4147615 0.89 GRM5 (0.60) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL192636 0.88 GRM5 (0.90) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL192635 0.88 GRM5 (0.90) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL192970 0.85 HSD11B1 (0.77) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL192971 0.85 HSD11B1 (0.77) HSD11B1GRM5CLPPPOLBMEN1
SCHEMBL1972180 0.85 GRM5 (0.57) HSD11B1GRM5CLPPPOLBMEN1

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-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US claimed
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP claimed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO claimed
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2009-08-06 US disclosed
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 EP disclosed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE 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-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM3 HSD11B1 3098/4885GRM5 1/4885CLPP 4656/4885

“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.