SCHEMBL4228258

SCHEMBL4228258

N#CC1CCCN(C(=O)c2ccc(F)c(F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CHRM5 P08912 1/20 0.49
PDE2A O00408 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
VNN1 O95497 3/20 0.45
BTD P43251 2/20 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
SCHEMBL4228255 1.00 HSD11B1 (0.53) HSD11B1KMT2AMEN1CHRM5PDE2A
SCHEMBL1968059 0.85 NPC1 (0.54) HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL1968055 0.85 NPC1 (0.54) HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL3390856 0.81 KMT2A (0.55) HSD11B1KMT2AMEN1PDE2ALMNA
SCHEMBL3390861 0.81 KMT2A (0.55) HSD11B1KMT2AMEN1PDE2ALMNA
SCHEMBL1972867 0.80 VNN1 (0.53) KMT2AMEN1PDE2ALMNAALDH1A1
SCHEMBL1972864 0.80 VNN1 (0.53) KMT2AMEN1PDE2ALMNAALDH1A1
SCHEMBL5031105 0.79 HSD11B1 (0.55) HSD11B1KMT2AMEN1PDE2ALMNA
SCHEMBL3578454 0.78 GLA (0.70) HSD11B1KMT2AMEN1PDE2AALDH1A1
SCHEMBL3578457 0.78 GLA (0.70) HSD11B1KMT2AMEN1PDE2AALDH1A1

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 3 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 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 3080/4885KMT2A 2226/4885MEN1 4396/4885

“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.