SCHEMBL193587

SCHEMBL193587

COc1ccc(-c2noc(C3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MAPT P10636 2/20 0.70
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HTT P42858 3/20 0.67
POLB P06746 2/20 0.67
GAA P10253 2/20 0.67
KDM4E B2RXH2 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
LMNA P02545 5/20 0.66
TSHR P16473 3/20 0.66
MAPK1 P28482 1/20 0.65
NPSR1 Q6W5P4 1/20 0.63
HPGD P15428 1/20 0.61
USP2 O75604 1/20 0.60

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
SCHEMBL5764007 0.92 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL25401566 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL192613 0.90 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL22280436 0.90 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5769537 0.90 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL193516 0.89 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL192156 0.89 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL193106 0.89 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4415594 0.89 HTT (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL193158 0.89 HSD11B1 (0.70) ALDH1A1GAAKDM4E

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 ALDH1A1 3593/4885SMN1; SMN2 1305/4885MAPT 1550/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 3593/4885SMN1; SMN2 1305/4885MAPT 1550/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ALDH1A1 3593/4885SMN1; SMN2 1305/4885MAPT 1550/4885

“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.