SCHEMBL4139823

SCHEMBL4139823

CC(C)(C)OC(=O)N1CCC[C@H](c2nc(-c3ccsc3)no2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.52
TSHR P16473 3/20 0.51
LMNA P02545 1/20 0.51
GRM5 P41594 4/20 0.50
CLPP Q16740 1/20 0.50
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL4139826 1.00 HSD11B1 (0.52) HSD11B1TSHRLMNAGRM5CLPP
SCHEMBL12580575 0.89 GPR119 (0.54) TSHRLMNAHDAC4HDAC6SMN1; SMN2
SCHEMBL192619 0.87 GPR119 (0.59) HSD11B1TSHRLMNAGRM5CLPP
SCHEMBL192618 0.87 GPR119 (0.59) HSD11B1TSHRLMNAGRM5CLPP
SCHEMBL193157 0.86 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL193158 0.86 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL192613 0.85 ALDH1A1 (0.64) HSD11B1TSHRLMNAGRM5CLPP
SCHEMBL22280436 0.85 ALDH1A1 (0.64) HSD11B1TSHRLMNAGRM5CLPP
SCHEMBL5769537 0.85 ALDH1A1 (0.64) HSD11B1TSHRLMNAGRM5CLPP
SCHEMBL192156 0.84 GRM5 (0.71) HSD11B1TSHRLMNAGRM5CLPP

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-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 3098/4885TSHR 560/4885LMNA 4756/4885

“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.