SCHEMBL12600697

SCHEMBL12600697

CCN1C(=O)N(C)CC(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CTRC Q99895 1/20 0.41
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MGLL Q99685 1/20 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
SCHEMBL8282907 0.79 PIK3CD (0.39) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13006991 0.73
SCHEMBL12600706 0.72 F2 (0.43) F2ELANECTSGCTRCCHRM2
SCHEMBL419379 0.70 F2 (0.48) F2ELANECTSGCTRCCHRM2
SCHEMBL12600976 0.68 CHRM2 (0.52) F2ELANECTSGCTRCCHRM2
SCHEMBL7359836 0.67
SCHEMBL414553 0.66 F2 (0.48) F2ELANECTSGCTRCCHRM2
SCHEMBL11936216 0.65 CHRM2 (0.44) F2ELANECTSGCTRCCHRM2
SCHEMBL5532101 0.65 F2 (0.42) F2ELANECTSGCTRCCHRM2
SCHEMBL1363314 0.65 F2 (0.42) F2ELANECTSGCTRCCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 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 (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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB F2 1629/4885ELANE 196/4885CTSG 953/4885

“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.