SCHEMBL5484553

SCHEMBL5484553

O=c1cc(-c2nnc3n2CCCN3Cc2noc(-c3cccc(Cl)c3)n2)cc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.51
MAPT P10636 2/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 2/20 0.35
ADORA2A P29274 1/20 0.35
TP53 P04637 1/20 0.35
MAOA P21397 1/20 0.34
SMPD1 P17405 1/20 0.34
PLAT P00750 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33

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
SCHEMBL4232705 0.87 MAPT (0.41) GRM5MAPTADORA3ADORA2BADORA1
SCHEMBL1544442 0.84 KCNH2 (0.47) GRM5MAPTADORA3ADORA2BADORA1
SCHEMBL5478892 0.83 MAPT (0.40) GRM5MAPTADORA3ADORA2BADORA1
SCHEMBL5482293 0.82 P2RX7 (0.40) GRM5MAPTADORA3ADORA2BADORA1
SCHEMBL4327916 0.82 KCNH2 (0.47) GRM5MAPTADORA3ADORA2BADORA1
SCHEMBL4333880 0.81 MAPT (0.36) GRM5MAPTADORA3ADORA2BADORA1
SCHEMBL4336808 0.81 MAPT (0.38) GRM5MAPTADORA3ADORA2BADORA1
SCHEMBL5485393 0.80 USP30 (0.43) GRM5MAPTNPC1RAB9AL3MBTL1
SCHEMBL4338428 0.79 MAPT (0.44) MAPTADORA2BNPC1RAB9AL3MBTL1
SCHEMBL5485527 0.79 MAPT (0.39) GRM5MAPTADORA3ADORA2BADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US 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 (1 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 GRM5 1/4885MAPT 711/4885ADORA3 485/4885

“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.