SCHEMBL8281978

SCHEMBL8281978

CCOC(=O)C(N)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 3/20 0.41
METAP2 P50579 2/20 0.40
DPP4 P27487 3/20 0.39
ALOX15 P16050 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL1320791 0.94 ALDH1A1 (0.48) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
SCHEMBL21107395 0.94 ALDH1A1 (0.48) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
Hydrochloric Acid SCHEMBL5966938 0.92 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
Hydrochloric Acid SCHEMBL5967498 0.92 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
SCHEMBL1908662 0.92 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
SCHEMBL493715 0.92 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
SCHEMBL13387500 0.92 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
Hydrochloric Acid SCHEMBL31601633 0.90 L3MBTL1 (0.43) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
SCHEMBL24102991 0.86 L3MBTL1 (0.41) L3MBTL1ALDH1A1NPSR1TSHRMETAP2
SCHEMBL29028066 0.86 L3MBTL1 (0.41) L3MBTL1ALDH1A1NPSR1TSHRMETAP2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880768-A Chemical synthesis method of 3-cyclobutylmorpholine UNIV NANTONG 2014-06-25 CN claimed
CN-103880768-A Chemical synthesis method of 3-cyclobutylmorpholine UNIV NANTONG 2014-06-25 CN disclosed
EP-1467989-B1 PROLINE COMPOUNDS AS NS3-SERINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF HEPATITIS C VIRUS INFECTION SCHERING CORP (US) 2009-09-23 EP disclosed
EP-1773868-B1 SUBSTITUTED PROLINES AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2009-07-15 EP disclosed
US-7425576-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-09-16 US disclosed
US-7342041-B2 3,4-(cyclopentyl)-fused proline compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070142300-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 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-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 (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-20070142300-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN L3MBTL1 2488/4885ALDH1A1 1238/4885NPSR1 3549/4885
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 L3MBTL1 3140/4885ALDH1A1 794/4885NPSR1 1836/4885

“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.