SCHEMBL5379366

SCHEMBL5379366

CCn1ncc2c(N3CCCC3=O)cccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.43
SCN10A Q9Y5Y9 4/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
SIGMAR1 Q99720 1/20 0.39
HTR6 P50406 1/20 0.38

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
SCHEMBL5219279 0.78 CTSD (0.51) CTSDBACE1BACE2SIGMAR1
SCHEMBL5389542 0.76 BACE1 (0.42) SCN9ACTSDBACE1BACE2
SCHEMBL5221894 0.76 BACE1 (0.49) CTSDBACE1BACE2SIGMAR1
SCHEMBL18070777 0.74 SCN9A (0.44) SCN9ASCN10A
SCHEMBL18070758 0.74 SCN9A (0.44) SCN9ASCN10A
SCHEMBL18070765 0.74 SCN9A (0.44) SCN9ASCN10A
SCHEMBL5383441 0.72 CTSD (0.43) SCN9ACTSDBACE1BACE2HTR6
SCHEMBL5387536 0.71 CHRM2 (0.43) SCN9A
SCHEMBL18070784 0.71 SCN9A (0.43) SCN9ASCN10A
SCHEMBL18070783 0.71 SCN9A (0.43) SCN9ASCN10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 SCN9A 2413/4885SCN10A 1352/4885CTSD 384/4885

“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.