SCHEMBL4598503

SCHEMBL4598503

COc1ccc(C(=O)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
P2RX7 Q99572 4/20 0.43
CNR2 P34972 5/20 0.42
FAAH O00519 2/20 0.42
P2RX5 Q93086 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
PKM P14618 2/20 0.41
TOP2A P11388 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4598670 0.77 PKM (0.49) MEN1KMT2AP2RX7CNR2P2RX5
SCHEMBL4598962 0.72 PKM (0.47) MEN1KMT2AP2RX7CNR2P2RX5
SCHEMBL4598671 0.71 ALDH1A1 (0.39) MEN1KMT2AP2RX7CNR2FAAH
SCHEMBL4598647 0.71 CNR2 (0.58) MEN1KMT2AP2RX7CNR2P2RX2
SCHEMBL7496866 0.70 MAPT (0.46) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL11427275 0.69 MAPT (0.48) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL566279 0.69 KMT2A (0.46) MEN1KMT2AP2RX7CNR2FAAH
SCHEMBL4779654 0.68 LMNA (0.51) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL732725 0.68 MAPT (0.61) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL8581917 0.68 KMT2A (0.67) MEN1KMT2AP2RX7CNR2FAAH

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 3 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

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 MEN1 3907/4885KMT2A 1445/4885P2RX7 2450/4885

“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.