SCHEMBL193229

SCHEMBL193229

CC(C)(C)OC(=O)N1CCCC(c2nc(-c3ccc4ccccc4c3)no2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GRM5 P41594 3/20 0.56
HSD11B1 P28845 4/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
SMO Q99835 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
SCHEMBL193228 1.00 TSHR (0.57) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL193157 0.89 HSD11B1 (0.70) HSD11B1ALDH1A1KDM4EGAA
SCHEMBL193158 0.89 HSD11B1 (0.70) HSD11B1ALDH1A1KDM4EGAA
SCHEMBL193587 0.87 ALDH1A1 (0.70) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL192613 0.86 ALDH1A1 (0.64) TSHRMEN1HTTKMT2AGRM5
SCHEMBL5769537 0.86 ALDH1A1 (0.64) TSHRMEN1HTTKMT2AGRM5
SCHEMBL22280436 0.86 ALDH1A1 (0.64) TSHRMEN1HTTKMT2AGRM5
SCHEMBL194065 0.86 GRM5 (0.70) L3MBTL1GRM5RAB9A
SCHEMBL192156 0.85 GRM5 (0.71) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL193106 0.85 GRM5 (0.71) TSHRMEN1CYP3A4CYP2C9CYP2C19

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 9 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

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 4043/4885CYP3A4 4032/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TSHR 268/4885MEN1 4043/4885CYP3A4 4032/4885
US-20110112143-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 TSHR 268/4885MEN1 4043/4885CYP3A4 4032/4885

“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.