SCHEMBL5485751

SCHEMBL5485751

COc1cc(-c2nnc3n2CCCCN3Cc2nnn(-c3cccc(C#N)c3)n2)nc(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
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
GRM5 P41594 2/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA4 P43681 1/20 0.33
DRD2 P14416 1/20 0.30

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
SCHEMBL2898565 0.98 PSEN1 (0.37) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL2897435 0.84 PSEN1 (0.41) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL2896306 0.83 PSEN1 (0.43) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL4223764 0.81 PSEN1 (0.37) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL2889873 0.80 CHRNB2 (0.44) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL5482514 0.80 PSEN1 (0.38) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL2890137 0.79 CHRNB2 (0.44) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL2889558 0.70 PSEN1 (0.38) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5485017 0.70 NPC1 (0.38) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2893245 0.69 ALDH1A1 (0.36) ALDH1A1HPGDPSEN1PSEN2APH1B

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 ALDH1A1 4603/4885HPGD 2870/4885PSEN1 923/4885

“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.