SCHEMBL4599371

SCHEMBL4599371

CN1C(=N)NC(c2ccc(Oc3ccccc3)cc2)(C2CCCCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
MMP2 P08253 11/20 0.39
MMP9 P14780 11/20 0.39
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
EPHX1 P07099 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL5515650 0.89 BACE1 (0.48) APPCTSDBACE1BACE2
SCHEMBL4597602 0.88 BACE1 (0.46) APPCTSDBACE1BACE2
SCHEMBL4599181 0.87 BACE1 (0.46) CTSDBACE1BACE2
SCHEMBL5526888 0.87 BACE1 (0.42) APPCTSDBACE1BACE2
SCHEMBL5517793 0.85 BACE1 (0.43) APPCTSDBACE1BACE2
SCHEMBL4599019 0.83 POLB (0.37) APPCTSDBACE1BACE2
SCHEMBL4599783 0.82 BACE1 (0.36) APPCTSDBACE1BACE2EPHX1
SCHEMBL4598839 0.82 BACE1 (0.36) APPCTSDBACE1BACE2NPY5R
SCHEMBL4599303 0.81 SLC6A4 (0.48) CTSDBACE1BACE2
SCHEMBL4599677 0.79 CREBBP (0.41) MMP8

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 APP 3/4885CTSD 54/4885BACE1 1/4885

“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.