SCHEMBL5488373

SCHEMBL5488373

COc1cc(-c2nnc3n2CCCN3[C@H](C)c2cc(-c3cccc(Cl)c3)on2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KIT P10721 2/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
USP30 Q70CQ3 1/20 0.34
CNR1 P21554 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 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
SCHEMBL8234009 1.00 GRM5 (0.42) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL8237712 0.90 PSEN1 (0.38) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5479867 0.88 USP30 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5479857 0.88 USP30 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4222892 0.84 TP53 (0.43) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL5478173 0.83 PSEN1 (0.39) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5485025 0.82 GRM5 (0.61) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL5481097 0.81 GRM5 (0.60) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL5481033 0.79 GRM5 (0.46) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL4232390 0.78 GRM5 (0.60) GRM5ALDH1A1MAPTNPC1RAB9A

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
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

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.