SCHEMBL2910592

SCHEMBL2910592

OCCc1nnn(-c2cccc(I)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
GRM5 P41594 6/20 0.33
MPO P05164 1/20 0.33
NOTUM Q6P988 3/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2896574 0.89 HPGD (0.43) HPGDFAAHMGLLKEAP1NFE2L2
SCHEMBL2488620 0.82 TLR8 (0.43) HPGDGRM5ALDH1A1L3MBTL1
SCHEMBL2897304 0.82 NOTUM (0.50) HPGDGRM5NOTUMALDH1A1L3MBTL1
SCHEMBL5739553 0.79 NOTUM (0.53) HPGDGRM5NOTUMALDH1A1
SCHEMBL5740508 0.77 HPGD (0.34) HPGDFAAHMGLLMPOABCG2
SCHEMBL5739267 0.75 HPGD (0.34) HPGDMPO
SCHEMBL19564580 0.73 NOTUM (0.54) KEAP1NFE2L2NOTUML3MBTL1
SCHEMBL2889477 0.73 HPGD (0.36) HPGDFAAHMGLLKEAP1NFE2L2
SCHEMBL2904342 0.73 FAAH (0.37) FAAHMGLLKEAP1NFE2L2GRM5
SCHEMBL27648735 0.72 FAAH (0.42) HPGDFAAHMGLLALDH1A1L3MBTL1

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 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.