SCHEMBL194148

SCHEMBL194148

CC(C)(C)OC(=O)N1CCCC(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
CLPP Q16740 1/20 0.53
HSD11B1 P28845 7/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 3/20 0.51
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL193720 1.00 GRM5 (0.53) GRM5CLPPHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL4422053 0.90 GPR119 (0.52) ALDH1A1SMN1; SMN2MAPTHDAC4HDAC6
SCHEMBL22280436 0.88 ALDH1A1 (0.64) GRM5CLPPHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL192613 0.88 ALDH1A1 (0.64) GRM5CLPPHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL5769537 0.88 ALDH1A1 (0.64) GRM5CLPPHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL192156 0.87 GRM5 (0.71) GRM5CLPPHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL193516 0.87 GRM5 (0.71) GRM5CLPPHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL193106 0.87 GRM5 (0.71) GRM5CLPPHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL193158 0.86 HSD11B1 (0.70) HSD11B1ALDH1A1KDM4EGAA
SCHEMBL193157 0.86 HSD11B1 (0.70) HSD11B1ALDH1A1KDM4EGAA

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 GRM5 1/4885CLPP 4698/4885HSD11B1 3154/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885CLPP 4698/4885HSD11B1 3154/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885CLPP 4698/4885HSD11B1 3154/4885

“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.