SCHEMBL4223124

SCHEMBL4223124

O=C(c1cc(F)ccc1F)N1CCCC(c2noc(-c3ccccn3)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
SCD5 Q86SK9 2/20 0.50
PDE2A O00408 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4223116 1.00 HSD11B1 (0.51) HSD11B1SCD5PDE2AMEN1KMT2A
SCHEMBL4226918 0.88 HSD11B1 (0.51) HSD11B1SCD5PDE2AMEN1KMT2A
SCHEMBL13744120 0.88 HSD11B1 (0.51) HSD11B1SCD5PDE2AMEN1KMT2A
SCHEMBL4636297 0.88 HSD11B1 (0.51) HSD11B1SCD5PDE2AMEN1KMT2A
SCHEMBL4234093 0.87 HSD11B1 (0.54) HSD11B1SCD5PDE2AALDH1A1LMNA
SCHEMBL4234087 0.87 HSD11B1 (0.54) HSD11B1SCD5PDE2AALDH1A1LMNA
SCHEMBL8258900 0.87 SCD5 (0.49) HSD11B1SCD5PDE2AMEN1KMT2A
SCHEMBL4227780 0.87 SCD5 (0.49) HSD11B1SCD5PDE2AMEN1KMT2A
SCHEMBL4233149 0.87 GRM5 (0.55) HSD11B1SCD5MEN1KMT2AGRM5
SCHEMBL4235342 0.87 GRM5 (0.55) HSD11B1SCD5MEN1KMT2AGRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 3080/4885SCD5 2330/4885PDE2A 1152/4885

“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.