SCHEMBL5491291

SCHEMBL5491291

N#Cc1cncc(-c2nnc3n2CCCN3Cc2noc(-c3cccc(Cl)c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
USP30 Q70CQ3 4/20 0.35
SCD O00767 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
KCNH2 Q12809 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CPT2 P23786 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
SCHEMBL5478892 0.87 MAPT (0.40) USP30MAPTTP53KCNH2ADORA3
SCHEMBL5485357 0.86 CHRNB2 (0.45) CHRNB2CHRNA5CHRNA4PSEN1PSEN2
SCHEMBL5482293 0.86 P2RX7 (0.40) CHRNB2CHRNA5CHRNA4USP30MAPT
SCHEMBL1544442 0.84 KCNH2 (0.47) MAPTTP53KCNH2ADORA3ADORA2B
SCHEMBL1544389 0.84 CHRNB2 (0.44) CHRNB2CHRNA5CHRNA4PSEN1PSEN2
SCHEMBL4327916 0.82 KCNH2 (0.47) MAPTTP53KCNH2ADORA3ADORA2B
SCHEMBL4333880 0.80 MAPT (0.36) MAPTTP53KCNH2ADORA3ADORA2B
SCHEMBL4336808 0.80 MAPT (0.38) MAPTTP53KCNH2ADORA3ADORA2B
SCHEMBL5484553 0.78 GRM5 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4338428 0.78 MAPT (0.44) 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 4 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
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 CHRNB2 254/4885CHRNA5 30/4885CHRNA4 61/4885

“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.