SCHEMBL3237190

SCHEMBL3237190

CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H]1CO[C@@H](CCC2CCCCC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
KLK5 Q9Y337 1/20 0.41
KLK7 P49862 1/20 0.40
REN P00797 12/20 0.39
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
PGC P20142 1/20 0.38

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
SCHEMBL3237186 1.00 BACE1 (0.42) BACE1KLK5KLK7RENCTSD
SCHEMBL3237197 1.00 BACE1 (0.42) BACE1KLK5KLK7RENCTSD
SCHEMBL3232623 0.89 BACE1 (0.52) BACE1CTSD
SCHEMBL3235943 0.89 BACE1 (0.52) BACE1CTSD
SCHEMBL3235933 0.89 BACE1 (0.52) BACE1CTSD
SCHEMBL3239051 0.88 KLK7 (0.41) KLK5KLK7REN
SCHEMBL3239059 0.88 KLK7 (0.41) KLK5KLK7REN
SCHEMBL3239049 0.88 KLK7 (0.41) KLK5KLK7REN
SCHEMBL3230915 0.85 KLK7 (0.38) KLK5KLK7REN
SCHEMBL3230913 0.85 KLK7 (0.38) KLK5KLK7REN

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-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 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-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP BACE1 1/4885KLK5 1507/4885KLK7 1466/4885

“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.