SCHEMBL3239059

SCHEMBL3239059

CC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.41
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
REN P00797 5/20 0.36
BCHE P06276 1/20 0.36
KLK5 Q9Y337 1/20 0.35
EPHX1 P07099 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
YAP1 P46937 2/20 0.34
ACE P12821 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL3239049 1.00 KLK7 (0.41) KLK7GAATHRBSMN1; SMN2REN
SCHEMBL3239051 1.00 KLK7 (0.41) KLK7GAATHRBSMN1; SMN2REN
SCHEMBL3237190 0.88 BACE1 (0.42) KLK7RENKLK5
SCHEMBL3237197 0.88 BACE1 (0.42) KLK7RENKLK5
SCHEMBL3237186 0.88 BACE1 (0.42) KLK7RENKLK5
SCHEMBL3236557 0.88 BACE1 (0.40) KLK7EPHX1MAPTNPSR1
SCHEMBL3236565 0.88 BACE1 (0.40) KLK7EPHX1MAPTNPSR1
SCHEMBL3236574 0.88 BACE1 (0.40) KLK7EPHX1MAPTNPSR1
SCHEMBL3230915 0.88 KLK7 (0.38) KLK7GAATHRBSMN1; SMN2REN
SCHEMBL3230913 0.88 KLK7 (0.38) KLK7GAATHRBSMN1; SMN2REN

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 KLK7 1466/4885GAA 27/4885THRB 3507/4885

“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.