SCHEMBL5367472

SCHEMBL5367472

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CCNc2ccc3ccccc3n2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.63
BACE2 Q9Y5Z0 8/20 0.63
CTSD P07339 4/20 0.59
CTSE P14091 3/20 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
SCHEMBL14541333 0.87 BACE1 (0.73) BACE1BACE2CTSDCTSE
SCHEMBL6803106 0.85 BACE1 (0.61) BACE1BACE2CTSDCTSE
SCHEMBL5372357 0.84 BACE1 (0.64) BACE1BACE2CTSDCTSE
SCHEMBL14438666 0.84 BACE1 (0.64) BACE1BACE2CTSDCTSE
SCHEMBL7607298 0.83 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL5353515 0.83 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL8321225 0.83 BACE1 (0.43) BACE1BACE2CTSDCTSE
SCHEMBL8357247 0.83 BACE1 (0.73) BACE1BACE2CTSDCTSE
SCHEMBL14425920 0.82 BACE1 (0.60) BACE1BACE2CTSDCTSE
SCHEMBL8364974 0.82 BACE1 (0.78) BACE1BACE2CTSDCTSE

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-20040039034-A1 Hydroxypropyl amides for the treatment of Alzheimer's disease PHARMACIA & UPJOHN COMPANY 2004-02-26 US claimed
US-7262208-B2 Hydroxypropyl amides for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2007-08-28 US disclosed
US-7262208-B2 Hydroxypropyl amides for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2007-08-28 US disclosed
US-7262208-B2 Hydroxypropyl amides for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2007-08-28 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-20040039034-A1 Hydroxypropyl amides for the treatment of Alzheimer's disease BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 368/4885

“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.