SCHEMBL193685

SCHEMBL193685

O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.67
CLPP Q16740 1/20 0.67
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
RAB9A P51151 2/20 0.60
POLB P06746 1/20 0.59
HSD11B1 P28845 3/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 3/20 0.57
TSHR P16473 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
PKM P14618 1/20 0.54

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
SCHEMBL193686 1.00 GRM5 (0.67) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL193637 0.90 GRM5 (0.83) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL193636 0.90 GRM5 (0.83) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL192775 0.89 GRM5 (0.84) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL192774 0.89 GRM5 (0.84) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL192971 0.87 HSD11B1 (0.77) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL192970 0.87 HSD11B1 (0.77) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL4142313 0.86 GRM5 (0.70) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL4142316 0.86 GRM5 (0.70) GRM5CLPPMEN1KMT2ARAB9A
SCHEMBL4142436 0.82 GRM5 (0.63) GRM5CLPPMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP claimed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP claimed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US claimed
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
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-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 (4 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 4698/4885MEN1 4043/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885CLPP 4698/4885MEN1 4043/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885CLPP 4698/4885MEN1 4043/4885
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM3 GRM5 1/4885CLPP 4656/4885MEN1 4470/4885

“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.