SCHEMBL4598647

SCHEMBL4598647

COc1ccc(C(=O)C(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.58
P2RX7 Q99572 1/20 0.56
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
P2RX2 Q9UBL9 1/20 0.51
ALDH1A1 P00352 4/20 0.49
EPHX2 P34913 1/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.47
XBP1 P17861 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8581921 0.85 CNR2 (0.63) CNR2P2RX7CES2CES1P2RX2
SCHEMBL4599024 0.84 CNR2 (0.61) CNR2ALDH1A1EPHX2KMT2AGAA
SCHEMBL4598300 0.81 CNR2 (0.49) CNR2ALDH1A1KMT2AMEN1HPGD
SCHEMBL5525884 0.81 ALDH1A1 (0.56) CNR2P2RX7ALDH1A1EPHX2KMT2A
SCHEMBL5354705 0.79 CNR2 (0.56) CNR2P2RX7CES2CES1P2RX2
SCHEMBL4598670 0.79 PKM (0.49) CNR2P2RX7P2RX2KMT2AMEN1
SCHEMBL4599684 0.78 KDM4E (0.54) CNR2P2RX7CES2CES1ALDH1A1
Hydrochloric Acid SCHEMBL11568159 0.78 CNR2 (0.55) CNR2P2RX7P2RX2ALDH1A1EPHX2
SCHEMBL28556650 0.77 ALDH1A1 (0.58) CNR2P2RX7P2RX2ALDH1A1KMT2A
SCHEMBL4598962 0.76 PKM (0.47) CNR2P2RX7P2RX2ALDH1A1KMT2A

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 disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO 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
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 CNR2 778/4885P2RX7 2450/4885CES2 1190/4885

“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.