SCHEMBL5628465

SCHEMBL5628465

Cn1c(-c2cccnc2)nnc1N1CCCCC1c1nnn(-c2cccc(C#N)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.52
CHRNA5 P30532 2/20 0.52
CHRNA4 P43681 2/20 0.52
GRM5 P41594 2/20 0.39
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
VCP P55072 1/20 0.35

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
SCHEMBL5629885 0.98 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA4GRM5CYP11B2
SCHEMBL5629899 0.98 CHRNB2 (0.52) CHRNB2CHRNA5CHRNA4GRM5CYP11B2
SCHEMBL4074105 0.88 GRM5 (0.43) GRM5
SCHEMBL3961132 0.88 GRM5 (0.43) GRM5
SCHEMBL3961869 0.88 GRM5 (0.43) GRM5
SCHEMBL4076476 0.87 GRM5 (0.40) CHRNB2CHRNA5CHRNA4GRM5DRD2
SCHEMBL4076468 0.87 GRM5 (0.40) CHRNB2CHRNA5CHRNA4GRM5DRD2
SCHEMBL2890850 0.86 DRD2 (0.47) CHRNB2CHRNA5CHRNA4GRM5DRD2
SCHEMBL2890857 0.86 DRD2 (0.47) CHRNB2CHRNA5CHRNA4GRM5DRD2
SCHEMBL4217061 0.85 GRM5 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437798-A Mglur5 modulators II ASTRAZENECA AB (SE) 2009-05-20 CN claimed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II 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-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 CHRNB2 162/4885CHRNA5 31/4885CHRNA4 91/4885

“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.