SCHEMBL4599019

SCHEMBL4599019

Cc1ccc(C2(C3CCCCC3)NC(=N)N(C)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
BACE1 P56817 5/20 0.36
APP P05067 2/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
CTSD P07339 1/20 0.36
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 2/20 0.32
FPR2 P25090 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL4599783 0.88 BACE1 (0.36) POLBBACE1APPBACE2CTSD
SCHEMBL4598839 0.88 BACE1 (0.36) BACE1APPBACE2CTSDOPRM1
SCHEMBL5515650 0.88 BACE1 (0.48) BACE1APPBACE2CTSDSLC6A2
SCHEMBL4597602 0.86 BACE1 (0.46) BACE1APPBACE2CTSDSLC6A2
SCHEMBL5526888 0.86 BACE1 (0.42) BACE1APPBACE2CTSDPRMT5
SCHEMBL4599181 0.86 BACE1 (0.46) BACE1BACE2CTSDOPRM1OPRK1
SCHEMBL5523577 0.85 OPRM1 (0.39) BACE1APPBACE2CTSDOPRM1
SCHEMBL5521710 0.85 CHRM2 (0.40) BACE1APPBACE2CTSDOPRM1
SCHEMBL5517793 0.84 BACE1 (0.43) BACE1APPBACE2CTSDSLC6A2
SCHEMBL4597437 0.84 OPRM1 (0.39) POLBBACE1APPBACE2CTSD

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 POLB 2544/4885BACE1 1/4885APP 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.