SCHEMBL10136656

SCHEMBL10136656

CC(C)C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.48
KDM4E B2RXH2 1/20 0.46
NPY5R Q15761 5/20 0.45
NPY1R P25929 3/20 0.44
HTR7 P34969 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
AQP1 P29972 1/20 0.42
NPY2R P49146 1/20 0.42
NPY4R P50391 1/20 0.42
MCHR1 Q99705 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR6 P50406 2/20 0.42

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
SCHEMBL10174793 0.86 SLC6A9 (0.51) SLC6A9KDM4ENPY5RNPY1RHTR7
SCHEMBL9015377 0.79 KDM4E (0.52) SLC6A9KDM4ENPY5RNPY1RHTR7
SCHEMBL7888147 0.78 GAA (0.65) KDM4ENPY5RGAAHTTNPSR1
SCHEMBL6205606 0.76 CCR8 (0.56) KDM4ENPY5RGAAHTTNPSR1
SCHEMBL9015386 0.76 KDM4E (0.52) SLC6A9KDM4ENPY5RNPY1RHTR7
SCHEMBL8897974 0.75 ACACB (0.58) NPY5RNPY1RDRD2
SCHEMBL8897971 0.75 ACACB (0.58) NPY5RNPY1RDRD2
SCHEMBL6228742 0.71 CCR8 (0.67)
SCHEMBL13684206 0.71 SLC6A9 (0.57) SLC6A9KDM4EALDH1A1HTR6
SCHEMBL27900241 0.71 CCR8 (0.53) HTR7DRD2HTR2AHTR6

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
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 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-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease 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-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 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

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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SLC6A9 4364/4885KDM4E 2172/4885NPY5R 3412/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP SLC6A9 4364/4885KDM4E 2172/4885NPY5R 3412/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SLC6A9 4364/4885KDM4E 2172/4885NPY5R 3412/4885

“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.