SCHEMBL4138212

SCHEMBL4138212

Cc1cccnc1-c1noc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.52
GRM5 P41594 4/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
TSHR P16473 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4138220 1.00 HSD11B1 (0.52) HSD11B1GRM5HCRTR1HCRTR2TSHR
SCHEMBL4138801 0.86 HSD11B1 (0.57) HSD11B1HCRTR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4138796 0.86 HSD11B1 (0.57) HSD11B1HCRTR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL193071 0.85 GRM5 (0.69) HSD11B1GRM5TSHRSMN1; SMN2ALDH1A1
SCHEMBL193072 0.85 GRM5 (0.69) HSD11B1GRM5TSHRSMN1; SMN2ALDH1A1
SCHEMBL193158 0.82 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL193157 0.82 HSD11B1 (0.70) HSD11B1ALDH1A1
SCHEMBL192547 0.82 PPARA (0.58) HSD11B1GRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL192546 0.82 PPARA (0.58) HSD11B1GRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL192613 0.82 ALDH1A1 (0.64) HSD11B1GRM5TSHRSMN1; SMN2ALDH1A1

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 3098/4885GRM5 1/4885HCRTR1 88/4885

“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.