SCHEMBL4226404

SCHEMBL4226404

N#Cc1cccc(-c2nc(CN3CCCn4c(-c5ccc(-n6cccn6)nc5)nnc43)no2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
USP30 Q70CQ3 8/20 0.34

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
SCHEMBL1544389 0.83 CHRNB2 (0.44) GRM5CHRNB2CHRNA5CHRNA4PSEN1
SCHEMBL5485357 0.82 CHRNB2 (0.45) GRM5CHRNB2CHRNA5CHRNA4PSEN1
SCHEMBL1544334 0.79 USP30 (0.47) GRM5CHRNB2CHRNA5CHRNA4PSEN1
SCHEMBL5491291 0.76 CHRNB2 (0.39) CHRNB2CHRNA5CHRNA4PSEN1PSEN2
SCHEMBL1545926 0.75 CPT2 (0.37) GRM5CHRNB2CHRNA5CHRNA4PSEN1
SCHEMBL4223764 0.73 PSEN1 (0.37) GRM5CHRNB2CHRNA5CHRNA4PSEN1
SCHEMBL5482293 0.72 P2RX7 (0.40) GRM5CHRNB2CHRNA5CHRNA4USP30
SCHEMBL1544442 0.70 KCNH2 (0.47) GRM5
SCHEMBL5478892 0.69 MAPT (0.40) GRM5USP30
SCHEMBL4327916 0.68 KCNH2 (0.47) GRM5

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 1/4885CHRNB2 254/4885CHRNA5 30/4885

“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.