SCHEMBL5439746

SCHEMBL5439746

CC(C)CCNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.51
SLC6A11 P48066 1/20 0.51
BCHE P06276 3/20 0.51
CTSD P07339 1/20 0.50
LAP3 P28838 2/20 0.48
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48

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
SCHEMBL5439744 1.00 BACE1 (0.51) BACE1SLC6A11BCHECTSDLAP3
SCHEMBL6893263 1.00 BACE1 (0.51) BACE1SLC6A11BCHECTSDLAP3
SCHEMBL2188440 0.88 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL2843607 0.88 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL3324386 0.88 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL2843604 0.88 BACE1 (0.54) BACE1SLC6A11BCHE
Hydrochloric Acid SCHEMBL5387276 0.88 BACE1 (0.51) BACE1SLC6A11BCHECTSD
SCHEMBL7647681 0.87 L3MBTL1 (0.52) BACE1SLC6A11BCHECTSDANPEP
SCHEMBL8734455 0.87 L3MBTL1 (0.52) BACE1SLC6A11BCHECTSDANPEP
SCHEMBL7306846 0.86 BACE1 (0.60) BACE1SLC6A11BCHE

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 2 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-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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 4/4885SLC6A11 1555/4885BCHE 12/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885SLC6A11 809/4885BCHE 8/4885

“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.