SCHEMBL2895684

SCHEMBL2895684

OC(c1ccccc1)C(O)c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
GRM5 P41594 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL5750726 0.91 PKM (0.37) PKMGRM5MEN1KMT2ACYP1A2
SCHEMBL2893686 0.84 GRM5 (0.42) GRM5MEN1KMT2AMAPTHIF1A
SCHEMBL2892918 0.84 GRM5 (0.34) GRM5HIF1AALDH1A1LMNA
SCHEMBL2889532 0.81 GRM5 (0.51) GRM5MAPTTSHRALDH1A1
SCHEMBL2893177 0.81 GRM5 (0.47) PKMGRM5MEN1KMT2AMAPT
SCHEMBL2893451 0.81 GRM5 (0.47) PKMGRM5MEN1KMT2AMAPT
SCHEMBL2893471 0.81 GRM5 (0.47) PKMGRM5MEN1KMT2AMAPT
SCHEMBL2889722 0.80 GAA (0.35) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4051271 0.76 GRM5 (0.48) PKMGRM5MEN1KMT2AMAPT
SCHEMBL14363428 0.76 GRM5 (0.48) PKMGRM5MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
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-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-2079730-A1 MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-07-22 EP 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
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
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 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 (4 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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 PKM 1183/4885GRM5 10/4885MEN1 2336/4885
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 PKM 940/4885GRM5 3/4885MEN1 3361/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 PKM 1276/4885GRM5 1/4885MEN1 4264/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 PKM 1245/4885GRM5 10/4885MEN1 2406/4885

“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.