SCHEMBL6044273

SCHEMBL6044273

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CCc2ccn[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.62
BACE2 Q9Y5Z0 6/20 0.62
CTSD P07339 2/20 0.60
CTSE P14091 1/20 0.55

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
SCHEMBL6044164 0.94 BACE1 (0.61) BACE1BACE2CTSDCTSE
SCHEMBL6044190 0.87 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL6044289 0.87 BACE1 (0.66) BACE1BACE2CTSDCTSE
SCHEMBL6044429 0.85 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL8364974 0.85 BACE1 (0.78) BACE1BACE2CTSDCTSE
SCHEMBL6044181 0.85 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL6043906 0.83 BACE1 (0.64) BACE1BACE2CTSDCTSE
SCHEMBL5367552 0.83 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL5579146 0.83 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL5633480 0.83 BACE1 (0.69) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100196-A1 Substituted amines for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-05-11 US claimed

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-20060100196-A1 Substituted amines for the treatment of alzheimer's disease BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 292/4885

“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.