SCHEMBL4599303

SCHEMBL4599303

COc1cccc(C2(C3CCCCC3)NC(=N)N(C)C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A3 Q01959 1/20 0.48
BACE1 P56817 6/20 0.47
CTSD P07339 1/20 0.47
CTSE P14091 1/20 0.47
BACE2 Q9Y5Z0 3/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A1 O15245 2/20 0.39
OPRM1 P35372 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL7539510 0.88 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL14105611 0.86 BACE1 (0.38) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL4599181 0.86 BACE1 (0.46) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL5521710 0.85 CHRM2 (0.40) BACE1CTSDBACE2OPRM1CHRM2
SCHEMBL2967486 0.85 BACE1 (0.39) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL4599677 0.85 CREBBP (0.41)
SCHEMBL4599454 0.84 BACE1 (0.47) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL2971924 0.84 BACE1 (0.37) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL5515650 0.83 BACE1 (0.48) SLC6A4SLC6A2SLC6A3BACE1CTSD
SCHEMBL4597602 0.82 BACE1 (0.46) SLC6A4SLC6A2SLC6A3BACE1CTSD

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 SLC6A4 2587/4885SLC6A2 2887/4885SLC6A3 3233/4885

“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.