SCHEMBL3230977

SCHEMBL3230977

CCCOc1cc(F)cc(/C=C/[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 10/20 0.56
TLR2 O60603 10/20 0.56
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
FBP1 P09467 5/20 0.48
MAPT P10636 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
SCHEMBL3230981 1.00 TLR4 (0.56) TLR4TLR2MAOAMAOBFBP1
SCHEMBL23684551 0.82 FBP1 (0.60) TLR4TLR2MAOAMAOBFBP1
SCHEMBL3235702 0.79 MAOA (0.70) TLR4TLR2MAOAMAOBFBP1
SCHEMBL3235707 0.79 MAOA (0.70) TLR4TLR2MAOAMAOBFBP1
SCHEMBL7418058 0.79 TLR4 (0.56) TLR4TLR2MAOAMAOBFBP1
SCHEMBL3230270 0.79 KAT6A (0.40) MAOAMAOBMAPT
SCHEMBL2285892 0.78 FBP1 (0.67) FBP1MAPT
SCHEMBL2285894 0.78 FBP1 (0.67) FBP1MAPT
SCHEMBL7999136 0.77 TLR4 (0.67) TLR4TLR2MAOAMAOBFBP1
SCHEMBL6793710 0.74 KAT6A (0.43) MAOAMAOB

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 TLR4 4875/4885TLR2 4732/4885MAOA 58/4885

“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.