SCHEMBL3880163

SCHEMBL3880163

CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCSC2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.65
CTSD P07339 8/20 0.55
BACE2 Q9Y5Z0 4/20 0.54
APP P05067 1/20 0.50

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
SCHEMBL3877367 0.83 BACE1 (0.60) BACE1CTSDBACE2APP
SCHEMBL6892761 0.81 BACE1 (0.73) BACE1CTSDBACE2APP
SCHEMBL6892757 0.81 BACE1 (0.73) BACE1CTSDBACE2APP
SCHEMBL5350048 0.80 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL5344273 0.80 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL5362382 0.79 BACE1 (0.86) BACE1CTSDBACE2
SCHEMBL5353972 0.79 BACE1 (0.78) BACE1CTSDBACE2
SCHEMBL13307525 0.79 BACE1 (0.86) BACE1CTSDBACE2
SCHEMBL5353223 0.79 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL3352669 0.78 BACE1 (0.76) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203096-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2005-09-15 US claimed
US-20020143177-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-10-03 US claimed
US-7553831-B2 Beta-secretase inhibitors; inhibiting cleavage of amyloid precursor protein (APP); hydroxy-functional disubstituted amines such as 6-(([[(2S,3S)-4-(3,5-difluorophenyl)-3-((3-[(dipropylamino)carbonyl]benzoyl)amino)-2-hydroxybutyl](ethyl)amino]carbonyl)amino)hexanoic acid ELAN PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-20050203096-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2005-09-15 US disclosed
US-6846813-B2 For inhibiting beta-secretase enzyme activity and A beta peptide production, inhibition of beta-secretase enzyme activity halts or reduces production of A beta from APP and reduces or eliminates the formation of beta-amyloid deposits PHARMACIA & UPJOHN COMPANY (US) 2005-01-25 US disclosed
US-20020143177-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-10-03 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-20020143177-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, CHAT BACE1 5/4885CTSD 1833/4885BACE2 8/4885
US-20050203096-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885CTSD 1651/4885BACE2 14/4885

“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.