SCHEMBL8282920

SCHEMBL8282920

COC(=O)[C@H]1NC[C@H]2[C@@H]1C2(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 1/20 0.35
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL4298525 1.00 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14074305 1.00 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8232225 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2055320 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL685097 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2055326 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1569371 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2108480 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21442028 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7721751 0.81 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7759499-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-07-20 US disclosed
US-7718691-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-05-18 US disclosed
US-7718691-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-05-18 US disclosed
US-7635694-B2 For treating hepatitis C and related disorders such as HIV, AIDS (Acquired Immune Deficiency Syndrome) SCHERING CORPORATION (US) 2009-12-22 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-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7192957-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-20 US disclosed
US-7186747-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-06 US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN CHRNB2 4881/4885CHRNA4 4883/4885CHRNB4 4882/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CHRNB2 4874/4885CHRNA4 4885/4885CHRNB4 4881/4885
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases HAVCR2, ENPEP, SERPINB1 CHRNB2 4704/4885CHRNA4 4619/4885CHRNB4 4669/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CHRNB2 4874/4885CHRNA4 4885/4885CHRNB4 4881/4885
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN CHRNB2 4881/4885CHRNA4 4884/4885CHRNB4 4883/4885

“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.