SCHEMBL4597437

SCHEMBL4597437

Cc1ccc(C)c(C2(C3CCCCC3)NC(=N)N(C)C2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
KMT2A Q03164 2/20 0.38
BACE1 P56817 4/20 0.34
APP P05067 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
CTSD P07339 1/20 0.34
PKM P14618 1/20 0.34
CNR1 P21554 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 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
SCHEMBL4599004 0.86 BACE1 (0.40) OPRM1OPRK1OPRL1BACE1APP
SCHEMBL4599019 0.84 POLB (0.37) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL5521710 0.82 CHRM2 (0.40) OPRM1OPRL1BACE1APPBACE2
SCHEMBL13558979 0.78 BACE1 (0.43) KMT2ABACE1APPBACE2CTSD
SCHEMBL5515650 0.77 BACE1 (0.48) BACE1APPBACE2CTSD
SCHEMBL5521889 0.76 BACE1 (0.40) OPRM1OPRK1OPRL1BACE1APP
SCHEMBL4599722 0.76 APP (0.38) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL4597602 0.76 BACE1 (0.46) BACE1APPBACE2CTSDALDH1A1
SCHEMBL4599092 0.75 SLC6A2 (0.39) BACE1APPBACE2CTSDADAMTS5
SCHEMBL4599783 0.75 BACE1 (0.36) OPRM1OPRL1KMT2ABACE1APP

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 OPRM1 4303/4885OPRD1 3622/4885OPRK1 3534/4885

“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.