SCHEMBL2896574

SCHEMBL2896574

OCc1nnn(-c2cccc(I)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
MPO P05164 1/20 0.35
GRM5 P41594 5/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
NOTUM Q6P988 3/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GBA1 P04062 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
SCHEMBL2910592 0.89 HPGD (0.40) HPGDFAAHMGLLMPOGRM5
SCHEMBL2889329 0.81 GRM5 (0.45) HPGDMGLLGRM5NOTUML3MBTL1
SCHEMBL2895891 0.81 NOTUM (0.54) HPGDGRM5NOTUML3MBTL1ALDH1A1
SCHEMBL512253 0.79 HPGD (0.63) HPGDABCG2NOTUMP2RX7L3MBTL1
SCHEMBL2897508 0.77 NOTUM (0.57) HPGDGRM5NOTUMALDH1A1
SCHEMBL2889477 0.77 HPGD (0.36) HPGDFAAHMGLLMPOGRM5
SCHEMBL2904342 0.76 FAAH (0.37) FAAHMGLLMPOGRM5KEAP1
SCHEMBL27648735 0.76 FAAH (0.42) HPGDFAAHMGLLL3MBTL1ALDH1A1
SCHEMBL5740508 0.75 HPGD (0.34) HPGDFAAHMGLLMPOABCG2
SCHEMBL2893322 0.74 MPO (0.35) FAAHMGLLMPOGRM5ABCG2

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 HPGD 3300/4885FAAH 1900/4885MGLL 3508/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 HPGD 3470/4885FAAH 1858/4885MGLL 3471/4885

“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.