SCHEMBL8282902

SCHEMBL8282902

CC(C)CN1C(=O)CC2(CCCC2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.43
ADRA1B P35368 6/20 0.43
ADRA1A P35348 5/20 0.43
DRD2 P14416 3/20 0.43
ADRA1D P25100 3/20 0.43
DRD4 P21917 1/20 0.43
HTR1B P28222 1/20 0.43
DRD3 P35462 1/20 0.43
PIK3CD O00329 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8282203 0.92 PIK3CD (0.38) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL12601433 0.78 CHRM2 (0.46) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL8282193 0.78 HTR1A (0.40) HTR1ADRD2DRD3PIK3CD
SCHEMBL8294610 0.78 PIK3CD (0.39) PIK3CDSMN1; SMN2
SCHEMBL8239790 0.78 SMN1; SMN2 (0.39) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL19383668 0.77 PIK3CD (0.44) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL13633040 0.75 HTR1A (0.36) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL8283898 0.74 GAA (0.39) PIK3CD
SCHEMBL12600977 0.74 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL12308312 0.74 SMN1; SMN2 (0.43) HTR1AADRA1BADRA1ADRD2ADRA1D

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 HTR1A 4258/4885ADRA1B 4739/4885ADRA1A 4641/4885

“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.