SCHEMBL4599181

SCHEMBL4599181

COc1ccc(C2(C3CCCCC3)NC(=N)N(C)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.46
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP3A4 P08684 1/20 0.43
CTSE P14091 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSD P07339 2/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL4599371 0.87 APP (0.40) BACE1CTSDBACE2
SCHEMBL4599303 0.86 SLC6A4 (0.48) BACE1SLC6A4SLC6A2SLC6A3CTSE
SCHEMBL4599019 0.86 POLB (0.37) BACE1SLC6A4SLC6A2SLC6A3PRMT5
SCHEMBL16109154 0.86 BACE1 (0.55) BACE1CYP3A4CTSECYP2C19CTSD
SCHEMBL16108455 0.86 BACE1 (0.55) BACE1CYP3A4CTSECYP2C19CTSD
SCHEMBL4599783 0.85 BACE1 (0.36) BACE1SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL4598839 0.85 BACE1 (0.36) BACE1SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL5515650 0.85 BACE1 (0.48) BACE1SLC6A4SLC6A2SLC6A3CYP2C19
SCHEMBL4597602 0.83 BACE1 (0.46) BACE1SLC6A4SLC6A2SLC6A3CYP2C19
SCHEMBL5526888 0.83 BACE1 (0.42) BACE1PRMT5WDR77CTSDBACE2

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 1/4885SLC6A4 2587/4885SLC6A2 2887/4885

“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.