SCHEMBL2893157

SCHEMBL2893157

CC(OS(C)(=O)=O)c1nnn(-c2cccc(C#N)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NOTUM Q6P988 1/20 0.36
NSD2 O96028 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3103976 0.83 GRM5 (0.50) GRM5ALDH1A1MAPTCA12CA1
SCHEMBL2889925 0.83 GRM5 (0.50) GRM5ALDH1A1MAPTCA12CA1
SCHEMBL3113748 0.83 GRM5 (0.50) GRM5ALDH1A1MAPTNOTUM
SCHEMBL2889439 0.83 GRM5 (0.50) GRM5ALDH1A1MAPTNOTUM
SCHEMBL2894710 0.82 GRM5 (0.39) GRM5ALDH1A1MAPTHTT
SCHEMBL2894869 0.80 GRM5 (0.39) GRM5ALDH1A1MAPTHTT
SCHEMBL2896607 0.79 GRM5 (0.52) GRM5CHRNB2CHRNA5CHRNA4ALDH1A1
SCHEMBL2893419 0.76 GRM5 (0.46) GRM5CHRNB2CHRNA5CHRNA4ALDH1A1
SCHEMBL5739576 0.74 GRM5 (0.45) GRM5CHRNB2CHRNA5CHRNA4ALDH1A1
SCHEMBL2895303 0.72 GRM5 (0.55) GRM5CHRNB2CHRNA5CHRNA4ALDH1A1

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 6 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-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 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 (2 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 GRM5 10/4885CHRNB2 384/4885CHRNA5 93/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GRM5 10/4885CHRNB2 380/4885CHRNA5 93/4885

“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.