SCHEMBL4225809

SCHEMBL4225809

C[C@H](c1nnn(-c2cccc(Cl)c2)n1)N1CCCn2c(-c3cc[nH]c(=O)c3)nnc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.60
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MCOLN2 Q8IZK6 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8230639 0.87 GRM5 (0.60) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5485778 0.87 GRM5 (0.60) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2895532 0.84 GRM5 (0.41) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2893197 0.83 GRM5 (0.41) GRM5ALDH1A1HPGD
SCHEMBL2893664 0.83 GRM5 (0.41) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2898277 0.83 GRM5 (0.41) GRM5MCOLN2
SCHEMBL2893400 0.82 GRM5 (0.41) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2893439 0.80 GRM5 (0.39) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5481097 0.78 GRM5 (0.60) GRM5ALDH1A1
SCHEMBL2895223 0.76 GRM5 (0.39) GRM5PSEN1PSEN2APH1BNCSTN

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-2027129-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
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 GRM5 1/4885PSEN1 923/4885PSEN2 606/4885

“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.