SCHEMBL12601433

SCHEMBL12601433

CCN1C(=O)CC2(CCCC2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 10/20 0.43
ADRA1B P35368 5/20 0.43
ADRA1A P35348 3/20 0.43
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL12600702 0.91 CHRM2 (0.48) CHRM2CHRM3SMN1; SMN2HTR1AADRA1B
SCHEMBL12600977 0.83 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL18463363 0.79 HTR1A (0.52) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL8283745 0.78 HTR1A (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL8282902 0.78 HTR1A (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL6580269 0.75 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL9386416 0.75 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL8943556 0.75 HTR1A (0.48) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL6751068 0.75 HTR1A (0.49) HTR1AADRA1BADRA1ADRD2ADRA1D
SCHEMBL8088243 0.75 CHRM2 (0.46) CHRM2CHRM3HTR1ADRD2

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-20170044216-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION Seqirus UK Limited (GB) 2017-02-16 US disclosed
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-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US 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-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 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

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-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CHRM2 999/4885CHRM3 651/4885SMN1; SMN2 877/4885
US-20170044216-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION MRPL21, CHLSN, MAX CHRM2 4669/4885CHRM3 4338/4885SMN1; SMN2 3641/4885
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB CHRM2 4860/4885CHRM3 4753/4885SMN1; SMN2 3987/4885

“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.