SCHEMBL3235702

SCHEMBL3235702

O=[N+]([O-])/C=C/c1cc(F)cc(OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.70
MAOB P27338 10/20 0.70
TLR4 O00206 9/20 0.70
TLR2 O60603 9/20 0.70
FBP1 P09467 2/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP19A1 P11511 1/20 0.48
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3235707 1.00 MAOA (0.70) MAOAMAOBTLR4TLR2FBP1
SCHEMBL510223 0.83 MAOA (1.00) MAOAMAOBTLR4TLR2
SCHEMBL510222 0.83 MAOA (1.00) MAOAMAOBTLR4TLR2
SCHEMBL236394 0.81 MAOA (0.72) MAOAMAOBTLR4TLR2FBP1
SCHEMBL236393 0.81 MAOA (0.72) MAOAMAOBTLR4TLR2FBP1
SCHEMBL3679466 0.80 CYP1A1 (0.65) MAOAMAOBTLR4TLR2CYP1A1
SCHEMBL3679467 0.80 CYP1A1 (0.65) MAOAMAOBTLR4TLR2CYP1A1
SCHEMBL3242914 0.79 MAOB (0.65) MAOAMAOBTLR4TLR2CYP1A1
SCHEMBL3230977 0.79 TLR4 (0.56) MAOAMAOBTLR4TLR2FBP1
SCHEMBL3230981 0.79 TLR4 (0.56) MAOAMAOBTLR4TLR2FBP1

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 MAOA 58/4885MAOB 64/4885TLR4 4875/4885

“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.