SCHEMBL13622684

SCHEMBL13622684

CC(C)(C)OC(=O)N[C@@H](C(N)=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.48
GAA P10253 1/20 0.46
EPHX1 P07099 4/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
BTK Q06187 1/20 0.40
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36
NPR3 P17342 1/20 0.35

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
SCHEMBL30231048 1.00 AAK1 (0.48) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL29050430 1.00 AAK1 (0.48) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL8282975 1.00 AAK1 (0.48) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL9108577 0.92 AAK1 (0.50) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL9108583 0.92 AAK1 (0.50) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL22139366 0.92 AAK1 (0.50) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL24103537 0.86 AAK1 (0.46) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL13576793 0.86 AAK1 (0.46) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL30231084 0.86 AAK1 (0.46) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL844823 0.86 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1

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
US-20240368096-A1 Fused Heterobicyclic Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2024-11-07 US disclosed
US-20240325409-A1 Fused Heterotetracyclic Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2024-10-03 US disclosed
WO-2024182271-A1 FUSED HETEROTETRACYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-09-06 WO disclosed
WO-2024044183-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 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 (3 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-20240368096-A1 Fused Heterobicyclic Antiviral Agents HAVCR2, HDGF, SLC10A1 AAK1 4533/4885GAA 605/4885EPHX1 2362/4885
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB AAK1 3284/4885GAA 1711/4885EPHX1 751/4885
US-20240325409-A1 Fused Heterotetracyclic Antiviral Agents HAVCR2, HDGF, SLC10A1 AAK1 4460/4885GAA 980/4885EPHX1 1812/4885

“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.