SCHEMBL4599783

SCHEMBL4599783

CN1C(=N)NC(c2ccc(Cl)cc2)(C2CCCCC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
APP P05067 2/20 0.36
CTSD P07339 2/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
EPHX1 P07099 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
FPR2 P25090 1/20 0.32
POLB P06746 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL4599019 0.88 POLB (0.37) BACE1BACE2APPCTSDKMT2A
SCHEMBL4599092 0.87 SLC6A2 (0.39) BACE1BACE2APPCTSDSLC6A4
SCHEMBL4598839 0.87 BACE1 (0.36) BACE1BACE2APPCTSDKMT2A
SCHEMBL5515650 0.87 BACE1 (0.48) BACE1BACE2APPCTSDSLC6A4
SCHEMBL4598536 0.86 SLC6A4 (0.44) BACE1SLC6A4SLC6A3
SCHEMBL4599454 0.85 BACE1 (0.47) BACE1BACE2APPCTSDSLC6A4
SCHEMBL4597602 0.85 BACE1 (0.46) BACE1BACE2APPCTSDL3MBTL1
SCHEMBL4599181 0.85 BACE1 (0.46) BACE1BACE2CTSDOPRM1OPRL1
SCHEMBL5526888 0.85 BACE1 (0.42) BACE1BACE2APPCTSD
SCHEMBL5523577 0.84 OPRM1 (0.39) BACE1BACE2APPCTSDKMT2A

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.