SCHEMBL2967906

SCHEMBL2967906

CC(Oc1nnc(-c2cn[nH]c(=O)c2)n1C)c1noc(-c2cccc(Cl)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 1.00
KCNH2 Q12809 2/20 0.71
MAPT P10636 4/20 0.41
PLAT P00750 2/20 0.38
TP53 P04637 2/20 0.36
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2959652 1.00 GRM5 (1.00) GRM5KCNH2MAPTPLATTP53
SCHEMBL2959089 0.87 GRM5 (1.00) GRM5KCNH2MAPTPLATTP53
SCHEMBL2959324 0.84 GRM5 (1.00) GRM5KCNH2MAPTTP53NPC1
SCHEMBL2962057 0.84 GRM5 (1.00) GRM5KCNH2MAPTTP53NPC1
SCHEMBL1545804 0.83 KCNH2 (0.83) GRM5KCNH2MAPTTP53NPC1
SCHEMBL1544513 0.83 KCNH2 (1.00) GRM5KCNH2MAPTTP53NPC1
SCHEMBL1543911 0.83 KCNH2 (1.00) GRM5KCNH2MAPTTP53NPC1
SCHEMBL1543885 0.83 KCNH2 (1.00) GRM5KCNH2MAPTTP53NPC1
SCHEMBL2958368 0.83 GRM5 (1.00) GRM5KCNH2MAPTTP53NPC1
SCHEMBL14341519 0.82 KCNH2 (0.81) GRM5KCNH2MAPTTP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 576/4885MAPT 3245/4885

“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.