SCHEMBL193569

SCHEMBL193569

CC(C)(C)OC(=O)N1CCOC(c2nc(-c3ccc(F)cc3)no2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.49
HDAC6 Q9UBN7 2/20 0.49
GRM5 P41594 3/20 0.48
CLPP Q16740 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GPR119 Q8TDV5 1/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
Hydrochloric Acid SCHEMBL5768729 0.91 HDAC4 (0.43) HDAC4HDAC6GRM5CLPPMEN1
SCHEMBL29496303 0.84 SPHK2 (0.53) POLBHTT
SCHEMBL4420449 0.84 LMNA (0.61) HDAC4GRM5CLPPMEN1KMT2A
SCHEMBL193384 0.83 GRM5 (0.68) GRM5CLPPMEN1KMT2ALMNA
SCHEMBL193106 0.83 GRM5 (0.71) HDAC4HDAC6GRM5CLPPMEN1
SCHEMBL193516 0.83 GRM5 (0.71) HDAC4HDAC6GRM5CLPPMEN1
SCHEMBL192156 0.83 GRM5 (0.71) HDAC4HDAC6GRM5CLPPMEN1
SCHEMBL192889 0.82 HDAC4 (0.52) HDAC4HDAC6GRM5CLPPMEN1
SCHEMBL967405 0.81 GPR119 (0.58) HDAC4HDAC6GPR119
SCHEMBL30373982 0.80 RORC (0.44) MEN1KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 US disclosed
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 US disclosed
EP-2030970-B1 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2012-01-04 EP disclosed
US-8030331-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2011-10-04 US disclosed
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-05-12 US disclosed
US-7834035-B2 Schizophrenia and related disorders; positive allosteric modulators of mGluR5; {3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-phenyl-methanone for example; compounds are all contain a 5-(1-carbonylpiperidin-3-yl)-1,2,4-oxadiazole moiety ADDEX PHARMA SA (CH) 2010-11-16 US disclosed
EP-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP disclosed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US disclosed
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP disclosed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 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 (3 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 HDAC4 2139/4885HDAC6 1842/4885GRM5 1/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HDAC4 2139/4885HDAC6 1842/4885GRM5 1/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HDAC4 2139/4885HDAC6 1842/4885GRM5 1/4885

“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.