SCHEMBL7071078

SCHEMBL7071078

CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)NC(Cc2ccccc2)C(O)C(O)CC#N)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.61
CTSD P07339 14/20 0.61
BACE2 Q9Y5Z0 1/20 0.52

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
SCHEMBL6076805 0.92 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL6345311 0.92 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL6076812 0.92 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL6340378 0.92 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL7066298 0.91 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL6353420 0.91 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL6571099 0.91 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL6351572 0.91 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL6571096 0.91 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL6352146 0.89 BACE1 (0.62) BACE1CTSDBACE2

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-20030092747-A1 Aminediols for the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY 2003-05-15 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-20030092747-A1 Aminediols for the treatment of Alzheimer's disease BACE1, APP, BACE2 BACE1 1/4885CTSD 213/4885BACE2 3/4885

“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.