SCHEMBL2897304

SCHEMBL2897304

OCCc1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
PKM P14618 2/20 0.43
HPGD P15428 1/20 0.43
TLR8 Q9NR97 1/20 0.42
GRM5 P41594 1/20 0.42
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2895891 0.89 NOTUM (0.54) NOTUMPKMHPGDTLR8GRM5
SCHEMBL5739257 0.85 GRM5 (0.42) NOTUMPKMHPGDGRM5LMNA
SCHEMBL2910592 0.82 HPGD (0.40) NOTUMHPGDGRM5ALDH1A1L3MBTL1
SCHEMBL2488620 0.82 TLR8 (0.43) HPGDTLR8GRM5LMNAKMT2A
SCHEMBL2895023 0.82 GRM5 (0.44) NOTUMPKMHPGDGRM5LMNA
SCHEMBL3107655 0.82 GRM5 (0.47) NOTUMPKMHPGDGRM5LMNA
SCHEMBL3955492 0.79 GRM5 (0.42) NOTUMPKMHPGDGRM5LMNA
SCHEMBL5739553 0.79 NOTUM (0.53) NOTUMHPGDGRM5ALDH1A1MAPT
SCHEMBL5741959 0.78 PKM (0.38) NOTUMPKMHPGDGRM5LMNA
SCHEMBL5739224 0.75 NOTUM (0.37) NOTUMTLR8MAPT

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
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-2027129-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS AstraZeneca AB (SE) 2009-02-25 EP disclosed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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 (3 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 3928/4885PKM 1183/4885HPGD 3300/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 NOTUM 2476/4885PKM 1276/4885HPGD 2870/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 NOTUM 4121/4885PKM 1245/4885HPGD 3470/4885

“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.