SCHEMBL3352040

SCHEMBL3352040

CC(C)CNC(=O)C(C)CNC[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.44
BACE2 Q9Y5Z0 5/20 0.44
CTSD P07339 4/20 0.39
LAP3 P28838 2/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
REN P00797 2/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL3350430 0.86 BACE1 (0.40) BACE1BACE2CTSDANPEP
SCHEMBL3357145 0.84 BACE1 (0.53) BACE1BACE2CTSDLAP3ANPEP
SCHEMBL3356369 0.84 BACE1 (0.53) BACE1BACE2CTSDLAP3ANPEP
SCHEMBL14577472 0.84 BACE1 (0.53) BACE1BACE2CTSDLAP3ANPEP
SCHEMBL3355492 0.84 BACE1 (0.39) BACE1BACE2CTSDLAP3ANPEP
SCHEMBL3352168 0.83 BACE1 (0.44) BACE1BACE2CTSDLAP3ANPEP
Hydrochloric Acid SCHEMBL3349499 0.83 BACE1 (0.52) BACE1BACE2CTSDLAP3ANPEP
SCHEMBL3350997 0.83 BACE1 (0.44) BACE1BACE2CTSDLAP3ANPEP
SCHEMBL3913011 0.83 BACE1 (0.50) BACE1BACE2CTSD
SCHEMBL3350362 0.83 BACE1 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 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 (2 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885BACE2 9/4885CTSD 2080/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 96/4885

“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.