SCHEMBL4138796

SCHEMBL4138796

Cc1ccccc1-c1noc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.57
TSHR P16473 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
HCRTR1 O43613 1/20 0.52
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL4138801 1.00 HSD11B1 (0.57) HSD11B1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL192704 0.89 ALDH1A1 (0.56) HSD11B1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL192705 0.89 ALDH1A1 (0.56) HSD11B1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL8146112 0.89 HCRTR1 (0.50) TSHRMAPTSMN1; SMN2ALDH1A1HCRTR1
SCHEMBL29891783 0.89 HCRTR1 (0.50) TSHRMAPTSMN1; SMN2ALDH1A1HCRTR1
SCHEMBL5767758 0.89 TSHR (0.57) HSD11B1TSHRMAPTNPC1ALDH1A1
SCHEMBL192463 0.89 TSHR (0.57) HSD11B1TSHRMAPTNPC1ALDH1A1
SCHEMBL192159 0.89 HSD11B1 (0.54) HSD11B1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL192160 0.89 HSD11B1 (0.54) HSD11B1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL193157 0.87 HSD11B1 (0.70) HSD11B1ALDH1A1

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 560/4885MAPT 2177/4885

“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.