SCHEMBL4757500

SCHEMBL4757500

CC(C)(C)OC(=O)NC1(c2cccc(-n3cccn3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.49
BACE1 P56817 5/20 0.49
LMNA P02545 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
AKT1 P31749 1/20 0.40
SYK P43405 1/20 0.38
KAT6A Q92794 2/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.36
CSNK1E P49674 1/20 0.36
KIT P10721 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
SCHEMBL18886212 0.89 GPR119 (0.46) CTSDBACE1GPR119AKT1SYK
SCHEMBL6680422 0.76 AKT1 (0.39) CTSDBACE1AKT1CNR1CNR2
SCHEMBL2036519 0.76 CTSB (0.40) BACE1AKT1CNR1CNR2KIT
SCHEMBL31360210 0.76 CTSB (0.40) BACE1AKT1CNR1CNR2KIT
SCHEMBL27425997 0.76 DRD2 (0.40) AKT1CNR1CNR2KIT
SCHEMBL4404243 0.75 LMNA (0.54) LMNAKDM4EMAPK1
SCHEMBL2554955 0.75 AKT1 (0.47) AKT1CNR1CNR2KDM4E
SCHEMBL25155496 0.75 CNR1 (0.42) AKT1CNR1CNR2
SCHEMBL30344050 0.75 CNR1 (0.42) AKT1CNR1CNR2
SCHEMBL27426505 0.75 AKT1 (0.40) CTSDBACE1AKT1CNR1CNR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430920-B1 Substituted benzene fungicides DU PONT (US) 2016-11-16 EP disclosed
EP-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO 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-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH CTSD 51/4885BACE1 5/4885LMNA 623/4885

“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.