SCHEMBL2895698

SCHEMBL2895698

CC(Sc1nnc(-c2ccncc2)n1C1CC1)c1nnn(-c2cccc(C#N)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA4 P43681 1/20 0.41
GRM5 P41594 1/20 0.38
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B2 P19099 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP11B1 P15538 2/20 0.33
KCNH2 Q12809 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2893692 0.89 ALPL (0.41) GRM5ALPLALPIGAARXFP1
SCHEMBL2897581 0.87 MAPK1 (0.40) GRM5ALPLALPIGAARXFP1
SCHEMBL2898303 0.87 CHRNB2 (0.45) CHRNB2CHRNA5CHRNA4GRM5DRD2
SCHEMBL2893141 0.83 GRM5 (0.42) CHRNB2CHRNA5CHRNA4GRM5CYP11B2
SCHEMBL5753191 0.82 CYP3A4 (0.43) GRM5ALPLALPIGAARXFP1
SCHEMBL5485045 0.82 DRD2 (0.34) CHRNB2CHRNA5CHRNA4ALPLALPI
SCHEMBL2895530 0.81 CYP3A4 (0.46) CHRNB2CHRNA5CHRNA4GRM5ALPL
SCHEMBL1544026 0.79 CYP3A4 (0.46) CHRNB2CHRNA5CHRNA4GRM5ALPL
SCHEMBL2893164 0.77 GAA (0.36) ALPLALPIGAARXFP1MEN1
SCHEMBL2898035 0.76 CYP3A4 (0.37) ALPLALPIGAARXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US claimed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US claimed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP claimed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US claimed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO claimed
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 CHRNB2 384/4885CHRNA5 93/4885CHRNA4 75/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 CHRNB2 380/4885CHRNA5 93/4885CHRNA4 68/4885

“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.