SCHEMBL192463

SCHEMBL192463

COc1ccccc1-c1noc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 1/20 0.55
ATM Q13315 1/20 0.53
HSD11B1 P28845 3/20 0.52
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 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
SCHEMBL5767758 1.00 TSHR (0.57) TSHRMEN1KMT2ACYP3A4CYP2C9
SCHEMBL192704 0.90 ALDH1A1 (0.56) TSHRMEN1KMT2AHTTNPC1
SCHEMBL192705 0.90 ALDH1A1 (0.56) TSHRMEN1KMT2AHTTNPC1
SCHEMBL4138801 0.89 HSD11B1 (0.57) TSHRHTTNPC1HSD11B1HCRTR1
SCHEMBL4138796 0.89 HSD11B1 (0.57) TSHRHTTNPC1HSD11B1HCRTR1
SCHEMBL192159 0.87 HSD11B1 (0.54) TSHRNPC1HSD11B1ALDH1A1MAPT
SCHEMBL192160 0.87 HSD11B1 (0.54) TSHRNPC1HSD11B1ALDH1A1MAPT
SCHEMBL193158 0.85 HSD11B1 (0.70) HSD11B1ALDH1A1GAAKDM4E
SCHEMBL193157 0.85 HSD11B1 (0.70) HSD11B1ALDH1A1GAAKDM4E
SCHEMBL16465832 0.85 HCRTR1 (0.65) HCRTR1HCRTR2

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 TSHR 268/4885MEN1 4043/4885KMT2A 1613/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TSHR 268/4885MEN1 4043/4885KMT2A 1613/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TSHR 268/4885MEN1 4043/4885KMT2A 1613/4885

“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.