SCHEMBL4599684

SCHEMBL4599684

O=C(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
FAAH O00519 1/20 0.53
P2RX7 Q99572 3/20 0.50
HPGD P15428 1/20 0.49
CNR2 P34972 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
EPHX1 P07099 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX2 P34913 2/20 0.44
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL7050756 0.81 ALDH1A1 (0.57) KDM4EALDH1A1TSHRHTTFAAH
SCHEMBL12040534 0.81 ALDH1A1 (0.50) KDM4EALDH1A1TSHRHTTFAAH
SCHEMBL4598647 0.78 CNR2 (0.58) KDM4EALDH1A1P2RX7HPGDCNR2
SCHEMBL2387617 0.77 KDM4E (0.47) KDM4EALDH1A1TSHRHTTFAAH
SCHEMBL27574792 0.76 KDM4E (0.51) KDM4EALDH1A1TSHRHTTFAAH
Benzamide SCHEMBL28953881 0.75 TSHR (0.55) KDM4EALDH1A1TSHRHTTFAAH
SCHEMBL4599024 0.75 CNR2 (0.61) KDM4EALDH1A1HPGDCNR2MEN1
SCHEMBL5525884 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHTTP2RX7CNR2
SCHEMBL13276034 0.74 FAAH (0.53) KDM4EALDH1A1TSHRHTTFAAH
Biphenyl SCHEMBL28946850 0.73 MEN1 (0.55) KDM4EALDH1A1TSHRHTTFAAH

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 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
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 KDM4E 1003/4885ALDH1A1 2594/4885TSHR 4819/4885

“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.