SCHEMBL4259811

SCHEMBL4259811

C=C1CCC(NCC(O)C(Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CC1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.87
CTSD P07339 17/20 0.87
CYP3A4 P08684 1/20 0.75

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
SCHEMBL8281526 1.00 BACE1 (0.87) BACE1CTSDCYP3A4
SCHEMBL8276698 1.00 BACE1 (0.87) BACE1CTSDCYP3A4
SCHEMBL5735490 0.93 BACE1 (0.75) BACE1CTSDCYP3A4
SCHEMBL4699197 0.93 BACE1 (1.00) BACE1CTSDCYP3A4
Formaldehyde SCHEMBL5668452 0.93 BACE1 (0.97) BACE1CTSDCYP3A4
SCHEMBL3178097 0.92 BACE1 (1.00) BACE1CTSDCYP3A4
SCHEMBL3178101 0.92 BACE1 (1.00) BACE1CTSDCYP3A4
SCHEMBL8283987 0.92 BACE1 (0.73) BACE1CTSDCYP3A4
SCHEMBL8274589 0.92 BACE1 (0.73) BACE1CTSDCYP3A4
SCHEMBL5669478 0.92 BACE1 (0.73) BACE1CTSDCYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP claimed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US claimed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO claimed
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-7385085-B2 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors JOHN VARGHESE 2007-06-28 US disclosed
EP-1773758-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS Elan Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-22 US disclosed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US disclosed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO disclosed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO disclosed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US 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 (6 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD BACE1 98/4885CTSD 171/4885CYP3A4 3081/4885
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP BACE1 18/4885CTSD 369/4885CYP3A4 1272/4885
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP BACE1 18/4885CTSD 369/4885CYP3A4 1272/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE BACE1 15/4885CTSD 154/4885CYP3A4 3323/4885
US-20070149584-A9 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP BACE1 18/4885CTSD 369/4885CYP3A4 1272/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP BACE1 19/4885CTSD 417/4885CYP3A4 1205/4885

“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.