SCHEMBL4228317

SCHEMBL4228317

O=C(c1ccncc1F)N1CCC[C@H](c2noc(-c3ccc(F)cc3)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.50
GRM5 P41594 1/20 0.49
CLPP Q16740 1/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 4/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.44
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4228326 1.00 HSD11B1 (0.55) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL4226590 0.87 MEN1 (0.69) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL410594 0.87 HSD11B1 (0.66) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL4231236 0.87 MEN1 (0.61) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL1972208 0.85 HSD11B1 (0.45) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL1971398 0.85 HSD11B1 (0.45) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL4233167 0.84 GRM5 (0.60) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL4232189 0.84 GRM5 (0.68) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL4233384 0.84 GRM5 (0.68) HSD11B1MEN1KMT2APOLBGRM5
SCHEMBL412929 0.84 GRM5 (0.68) HSD11B1MEN1KMT2APOLBGRM5

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 3080/4885MEN1 4396/4885KMT2A 2226/4885

“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.