SCHEMBL5482514

SCHEMBL5482514

COc1cc(-c2nnc3n2CCCCN3Cc2cc(-c3cccc(C#N)c3)on2)nc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PTGDR Q13258 2/20 0.35
ADORA1 P30542 2/20 0.35
USP30 Q70CQ3 2/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 1/20 0.34
ALOX12 P18054 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL5485017 0.89 NPC1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4223764 0.88 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5485751 0.80 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2898565 0.78 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4330936 0.72 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1544334 0.71 USP30 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1544461 0.71 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5478173 0.71 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4234513 0.69 KDR (0.38) SCDSCD5ALDH1A1HPGDHSD17B10
SCHEMBL1544559 0.68 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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 5 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
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-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
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 PSEN1 923/4885PSEN2 606/4885APH1B 2718/4885

“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.