SCHEMBL193795

SCHEMBL193795

COc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4)C3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.82
▸ KMT2A Q03164 1/20 0.82
▸ HSD11B1 P28845 3/20 0.80
▸ ALDH1A1 P00352 5/20 0.76
▸ KDM4E B2RXH2 1/20 0.76
▸ GAA P10253 1/20 0.76
▸ TSHR P16473 4/20 0.75
▸ LMNA P02545 3/20 0.75
▸ HTT P42858 2/20 0.74
▸ HPGD P15428 1/20 0.73
▸ MAPT P10636 3/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ GRM5 P41594 1/20 0.68
▸ CLPP Q16740 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68

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
SCHEMBL193123 0.87 GRM5 (0.90) MEN1KMT2AHSD11B1ALDH1A1TSHR
SCHEMBL3137500 0.84 ALDH1A1 (0.66) MEN1KMT2AHSD11B1ALDH1A1KDM4E
SCHEMBL3137493 0.84 ALDH1A1 (0.66) MEN1KMT2AHSD11B1ALDH1A1KDM4E
SCHEMBL193587 0.83 ALDH1A1 (0.70) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL192635 0.82 GRM5 (0.90) MEN1KMT2AHSD11B1TSHRGRM5
SCHEMBL192636 0.82 GRM5 (0.90) MEN1KMT2AHSD11B1TSHRGRM5
SCHEMBL192098 0.81 GRM5 (1.00) MEN1KMT2AHSD11B1ALDH1A1TSHR
SCHEMBL192099 0.81 GRM5 (1.00) MEN1KMT2AHSD11B1ALDH1A1TSHR
SCHEMBL193680 0.81 GRM5 (1.00) MEN1KMT2AHSD11B1ALDH1A1TSHR
SCHEMBL193242 0.80 RAB9A (0.84) MEN1KMT2AHSD11B1ALDH1A1TSHR

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 37 patents — showing the first 20. 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
EP-1896463-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-12 — — EP claimed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 — — US claimed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 — — WO claimed
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 — — EP claimed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 — — WO claimed
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 — — US disclosed
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 — — US disclosed
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
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 — — US disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 — — US disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 — — US disclosed
WO-2006123249-A2 NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 — — WO 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
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 MEN1 4043/4885KMT2A 1613/4885HSD11B1 3154/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MEN1 4043/4885KMT2A 1613/4885HSD11B1 3154/4885
US-20090197897-A1 Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM3 MEN1 4470/4885KMT2A 2454/4885HSD11B1 3098/4885

“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.

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