SCHEMBL2893751

SCHEMBL2893751

O=Cc1nnn(-c2cccc(I)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
GRM5 P41594 9/20 0.38
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MPO P05164 1/20 0.34
MPI P34949 1/20 0.33
P2RX7 Q99572 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL2895448 0.83 GRM5 (0.45) MGLLGRM5
SCHEMBL2896761 0.81 GRM5 (0.44) MGLLGRM5
SCHEMBL31568334 0.80 ABCG2 (0.46) GRM5P2RX7
SCHEMBL2897159 0.80 APP (0.39) FAAHMGLLGRM5MPO
SCHEMBL2897163 0.80 APP (0.39) FAAHMGLLGRM5MPO
SCHEMBL2895921 0.78 GRM5 (0.54) GRM5CHRNB2CHRNA5CHRNA4
SCHEMBL2896574 0.73 HPGD (0.43) FAAHMGLLGRM5KEAP1NFE2L2
SCHEMBL5751658 0.73 GRM5 (0.38) GRM5
SCHEMBL2904342 0.72 FAAH (0.37) FAAHMGLLGRM5KEAP1NFE2L2
SCHEMBL14701732 0.70 NPC1 (0.50) MGLLGRM5

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 9 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
CN-1918137-B Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2012-08-01 CN disclosed
CN-101845023-A Tetrazole compound and as the application of metabotropic glutamate receptor antagonists NPS PHARMA INC 2010-09-29 CN 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
CN-1918137-A Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-21 CN 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 FAAH 1900/4885MGLL 3508/4885GRM5 10/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 FAAH 1858/4885MGLL 3471/4885GRM5 10/4885

“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.