SCHEMBL7090881

SCHEMBL7090881

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)[C@H](O)[C@@H](CCSC)NC(C)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.60
BACE2 Q9Y5Z0 5/20 0.59
CTSD P07339 1/20 0.57

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
SCHEMBL6075893 0.93 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL7090662 0.92 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL6342136 0.91 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL6076222 0.91 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL6076074 0.89 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL7089395 0.89 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL6346273 0.87 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL6570838 0.87 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL7087356 0.87 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL7087367 0.86 BACE1 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083353-A1 Diaminediols for the treatment of Alzheimer's disease PHARMACIA & UPJOHN 2003-05-01 US claimed
US-20030083353-A1 Diaminediols for the treatment of Alzheimer's disease PHARMACIA & UPJOHN 2003-05-01 US disclosed
WO-2003006013-A1 DIAMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO 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-20030083353-A1 Diaminediols for the treatment of Alzheimer's disease BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 246/4885

“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.