SCHEMBL2895689

SCHEMBL2895689

OCc1nnn(-c2cc(Cl)ccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.42
GRM2 Q14416 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KCNMA1 Q12791 1/20 0.32
LGALS3 P17931 2/20 0.31
CYP3A4 P08684 1/20 0.31
P2RX7 Q99572 1/20 0.31
PTGS2 P35354 1/20 0.31
KMT2A Q03164 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
SCHEMBL5739224 0.90 NOTUM (0.37) NOTUMGRM2KDM4EMAPTTLR8
SCHEMBL2895280 0.83 RXRA (0.40) NOTUMKDM4EMAPT
SCHEMBL2889382 0.77 DDR1 (0.31) P2RX7KMT2A
SCHEMBL5739206 0.76
SCHEMBL2889889 0.75 KCNH2 (0.33) NOTUMKCNMA1
SCHEMBL2893297 0.74 ALDH1A1 (0.35) NOTUMKDM4EPTGS2
SCHEMBL5740464 0.74 RXRA (0.38) NOTUMKDM4EKMT2A
SCHEMBL2895891 0.73 NOTUM (0.54) NOTUMMAPTTLR8KMT2A
SCHEMBL2889986 0.69 NFE2L2 (0.37) KDM4EPTGS2KMT2A
SCHEMBL31086419 0.67 LTA4H (0.56)

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 NOTUM 3928/4885GRM2 7/4885KDM4E 2623/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 NOTUM 4121/4885GRM2 7/4885KDM4E 2698/4885

“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.