SCHEMBL4599004

SCHEMBL4599004

Cc1ccccc1C1(C2CCCCC2)NC(=N)N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.40
BACE2 Q9Y5Z0 5/20 0.40
APP P05067 2/20 0.40
CTSD P07339 1/20 0.40
OPRM1 P35372 4/20 0.37
OPRL1 P41146 3/20 0.37
OPRK1 P41145 2/20 0.37
PDE7A Q13946 1/20 0.33
SLC6A9 P48067 3/20 0.32
SLC6A5 Q9Y345 1/20 0.32

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
SCHEMBL4597437 0.86 OPRM1 (0.39) BACE1BACE2APPCTSDOPRM1
SCHEMBL4599722 0.84 APP (0.38) BACE1BACE2APPCTSDOPRM1
SCHEMBL5521889 0.84 BACE1 (0.40) BACE1BACE2APPCTSDOPRM1
SCHEMBL5515650 0.83 BACE1 (0.48) BACE1BACE2APPCTSD
SCHEMBL4597602 0.82 BACE1 (0.46) BACE1BACE2APPCTSD
SCHEMBL4599019 0.80 POLB (0.37) BACE1BACE2APPCTSDOPRM1
SCHEMBL5517793 0.79 BACE1 (0.43) BACE1BACE2APPCTSD
SCHEMBL5526888 0.79 BACE1 (0.42) BACE1BACE2APPCTSD
SCHEMBL5521710 0.78 CHRM2 (0.40) BACE1BACE2APPCTSDOPRM1
SCHEMBL4599371 0.76 APP (0.40) 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 4 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
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.