SCHEMBL2904342

SCHEMBL2904342

OC(c1nnn(-c2cccc(I)c2)n1)c1nnn(-c2cccc(I)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
MPO P05164 1/20 0.34
GRM5 P41594 12/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL2893322 0.88 MPO (0.35) FAAHMGLLMPOGRM5KEAP1
SCHEMBL2892918 0.83 GRM5 (0.34) FAAHMGLLMPOGRM5
SCHEMBL2896574 0.76 HPGD (0.43) FAAHMGLLMPOGRM5KEAP1
SCHEMBL2894869 0.75 GRM5 (0.39) FAAHMGLLMPOGRM5
SCHEMBL2894710 0.74 GRM5 (0.39) FAAHMGLLMPOGRM5KEAP1
SCHEMBL2910592 0.73 HPGD (0.40) FAAHMGLLMPOGRM5KEAP1
SCHEMBL2893751 0.72 FAAH (0.40) FAAHMGLLMPOGRM5KEAP1
SCHEMBL2001185 0.71 GRM5 (0.46) MGLLGRM5
SCHEMBL3115514 0.71 GRM5 (0.46) MGLLGRM5
SCHEMBL2002209 0.71 GRM5 (0.46) 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 5 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 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 FAAH 1900/4885MGLL 3508/4885MPO 2407/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 FAAH 1858/4885MGLL 3471/4885MPO 2449/4885

“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.