SCHEMBL3243973

SCHEMBL3243973

CC(=O)Oc1cccc(CC[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
CYP3A4 P08684 1/20 0.49
LMNA P02545 1/20 0.49
PARP1 P09874 1/20 0.46
ACHE P22303 8/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
F2 P00734 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL8766421 0.81 TAAR1 (0.57) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL21225979 0.80 ALOX5 (0.57) ALOX5CYP3A4LMNAPARP1ACHE
SCHEMBL715536 0.80 CYP3A4 (0.56) CYP3A4LMNAPARP1ACHECNR2
SCHEMBL1561685 0.80 CYP3A4 (0.56) CYP3A4LMNAPARP1ACHEMTNR1A
SCHEMBL3898374 0.79 CHRM2 (0.56) ALOX5CYP3A4LMNAMEN1KMT2A
SCHEMBL13314605 0.78 ALDH1A1 (0.55) CYP3A4LMNAPARP1ACHEMTNR1A
SCHEMBL715236 0.78 LMNA (0.54) CYP3A4LMNAPARP1ACHEMTNR1A
SCHEMBL7613234 0.78 CYP3A4 (0.54) ALOX5CYP3A4LMNAPARP1ACHE
SCHEMBL27348013 0.78 ACHE (0.70) CYP3A4LMNAPARP1ACHEMTNR1A
SCHEMBL3407357 0.78 CYP3A4 (0.58) CYP3A4LMNAPARP1ACHEMEN1

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 ALOX5 2689/4885CYP3A4 423/4885LMNA 877/4885

“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.