SCHEMBL4598543

SCHEMBL4598543

CN1C(=O)C(c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)(C2CCCCC2)N=C1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 1.00
BACE2 Q9Y5Z0 9/20 1.00
APP P05067 2/20 0.67
CTSD P07339 2/20 0.67
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
PTBP1 P26599 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5529475 0.86 BACE1 (0.81) BACE1BACE2APPCTSD
SCHEMBL4599362 0.84 BACE1 (0.80) BACE1BACE2APPCTSD
SCHEMBL5531401 0.83 BACE1 (0.76) BACE1BACE2APPCTSD
SCHEMBL4598696 0.83 BACE1 (1.00) BACE1BACE2APPCTSDMEN1
SCHEMBL4610740 0.83 BACE1 (0.75) BACE1BACE2APPCTSDRAB9A
SCHEMBL4597418 0.81 BACE1 (1.00) BACE1BACE2APPCTSD
SCHEMBL4599212 0.80 BACE1 (1.00) BACE1BACE2APPCTSD
SCHEMBL4599087 0.80 BACE1 (1.00) BACE1BACE2APPCTSD
SCHEMBL4598937 0.78 BACE1 (1.00) BACE1BACE2APPCTSD
SCHEMBL4598516 0.78 BACE1 (0.71) BACE1BACE2APPCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP claimed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO claimed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 US claimed
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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 (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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885APP 3/4885

“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.