SCHEMBL8282196

SCHEMBL8282196

CC(C)CN1C(=O)CCC(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
PIK3CD O00329 3/20 0.39
CASP6 P55212 1/20 0.37
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP19A1 P11511 4/20 0.33
CNR1 P21554 2/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL8282199 0.81 PIK3CD (0.38) MEN1KMT2ATSHRPIK3CDCASP6
SCHEMBL11936216 0.79 CHRM2 (0.44) MEN1KMT2ATSHRALDH1A1CYP19A1
SCHEMBL13792024 0.77 MEN1 (0.34) MEN1KMT2ATSHR
SCHEMBL8282904 0.76 PIK3CD (0.40) MEN1KMT2ATSHRPIK3CDCASP6
SCHEMBL13788394 0.76 MEN1 (0.35) MEN1KMT2ATSHR
SCHEMBL8295849 0.76 CYP19A1 (0.50) MEN1KMT2ATSHRCYP19A1
SCHEMBL1682032 0.75 PIK3CD (0.50) MEN1KMT2ATSHRPIK3CDCASP6
SCHEMBL8979993 0.73 POLB (0.42) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL717638 0.71 PIK3CD (0.57) MEN1KMT2ATSHRPIK3CDCASP6
SCHEMBL2063082 0.71 INSR (0.41) KMT2ACASP6CYP19A1

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 8 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-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-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
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
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB MEN1 4705/4885KMT2A 1104/4885TSHR 4715/4885

“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.