SCHEMBL4598536

SCHEMBL4598536

CN1C(=N)NC(c2ccc(Cl)c(Cl)c2)(C2CCCCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.44
SLC6A3 Q01959 17/20 0.44
SLC6A2 P23975 15/20 0.44
CYP2D6 P10635 11/20 0.44
KCNH2 Q12809 11/20 0.44
CYP1A2 P05177 8/20 0.44
CYP3A4 P08684 7/20 0.44
CYP1A1 P04798 7/20 0.44
CYP2C19 P33261 7/20 0.44
CYP2C9 P11712 3/20 0.43
BACE1 P56817 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
SCHEMBL4599783 0.86 BACE1 (0.36) SLC6A4SLC6A3BACE1
SCHEMBL4599454 0.85 BACE1 (0.47) SLC6A4SLC6A3SLC6A2BACE1
SCHEMBL4599092 0.84 SLC6A2 (0.39) SLC6A4SLC6A3SLC6A2BACE1
SCHEMBL4599019 0.83 POLB (0.37) SLC6A4SLC6A3SLC6A2KCNH2BACE1
SCHEMBL4598839 0.81 BACE1 (0.36) SLC6A4SLC6A3SLC6A2BACE1
SCHEMBL5515650 0.81 BACE1 (0.48) SLC6A4SLC6A3SLC6A2CYP2C19BACE1
SCHEMBL2955293 0.81 BACE1 (0.57) BACE1
SCHEMBL2967486 0.81 BACE1 (0.39) SLC6A4SLC6A3SLC6A2BACE1
SCHEMBL5521710 0.81 CHRM2 (0.40) BACE1
SCHEMBL14105611 0.80 BACE1 (0.38) SLC6A4SLC6A3SLC6A2BACE1

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 2587/4885SLC6A3 3233/4885SLC6A2 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.