SCHEMBL2965620

SCHEMBL2965620

C[C@@H](Oc1nnc(-c2ccn(COCC[Si](C)(C)C)c(=O)c2)n1C)c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.63
KCNH2 Q12809 2/20 0.41

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
SCHEMBL13201364 0.88 GRM5 (0.62) GRM5KCNH2
SCHEMBL2959671 0.88 GRM5 (0.62) GRM5KCNH2
SCHEMBL2962508 0.85 GRM5 (0.73) GRM5KCNH2
SCHEMBL13201365 0.83 GRM5 (0.62) GRM5KCNH2
SCHEMBL2956435 0.83 GRM5 (0.62) GRM5KCNH2
SCHEMBL2960240 0.83 GRM5 (0.75) GRM5KCNH2
SCHEMBL4167366 0.79 GRM5 (0.71) GRM5KCNH2
SCHEMBL2895780 0.78 GRM5 (0.73) GRM5KCNH2
SCHEMBL2895291 0.78 GRM5 (0.73) GRM5KCNH2
SCHEMBL2895294 0.78 GRM5 (0.73) GRM5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079730-A1 MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-07-22 EP claimed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US claimed
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 WO claimed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 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 (1 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-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting GLRA1, GRM1, GRM5 GRM5 3/4885KCNH2 576/4885

“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.