SCHEMBL8035937

SCHEMBL8035937

COC(=O)CC1(Cc2ccccn2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
HSD11B1 P28845 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NLRP3 Q96P20 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12564742 0.80 GAA (0.46) GAAPOLBALDH1A1KDM4EALOX15
SCHEMBL8283756 0.76 ALDH1A1 (0.54) GAAALDH1A1KDM4ECYP3A4SMN1; SMN2
SCHEMBL8283758 0.75 ALDH1A1 (0.43) GAAPOLBALDH1A1KDM4ECYP3A4
SCHEMBL29390571 0.73 SMN1; SMN2 (0.53) POLBALDH1A1KDM4EALOX15SMN1; SMN2
SCHEMBL78000 0.73 SMN1; SMN2 (0.53) POLBALDH1A1KDM4EALOX15SMN1; SMN2
SCHEMBL8283151 0.73 GAA (0.50) GAAPOLBALDH1A1KDM4EALOX15
SCHEMBL4691009 0.72 TSHR (0.43) GAAHSD11B1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL7500894 0.71 SMN1; SMN2 (0.51) POLBALDH1A1KDM4EALOX15SMN1; SMN2
Water SCHEMBL7798110 0.71 SMN1; SMN2 (0.51) POLBALDH1A1KDM4EALOX15SMN1; SMN2
SCHEMBL14087566 0.71 TSHR (0.44) GAAPOLBALDH1A1KDM4EKMT2A

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-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 US disclosed
EP-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 EP disclosed
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 WO disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 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 (2 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-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 GAA 128/4885HSD11B1 2647/4885POLB 3834/4885
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN GAA 382/4885HSD11B1 2058/4885POLB 4434/4885

“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.