SCHEMBL2809512

SCHEMBL2809512

COC(=O)CN(CC1CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
CA14 Q9ULX7 3/20 0.34
EPHX1 P07099 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ALOX5 P09917 2/20 0.33
CNR2 P34972 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
CA12 O43570 2/20 0.31
CA2 P00918 2/20 0.31
BRD4 O60885 1/20 0.31
S1PR1 P21453 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
SCHEMBL7279823 0.99 EPHX2 (0.37) EPHX2CA14EPHX1CTSSCTSK
SCHEMBL2810316 0.85 CTSS (0.35) CA14EPHX1CTSSCTSKALOX5
SCHEMBL8165566 0.84 ALOX5 (0.41) CA14EPHX1CTSSCTSKALOX5
SCHEMBL6680983 0.84 CTSK (0.37) CA14EPHX1CTSSCTSKALOX5
SCHEMBL20262979 0.81 CA14 (0.42) CA14GAAMEN1MAPTKMT2A
SCHEMBL4780561 0.80 ALOX5 (0.39) CA14EPHX1CTSSCTSKALOX5
SCHEMBL7186502 0.79 ALOX5 (0.41) CA14EPHX1CTSSCTSKALOX5
SCHEMBL31599786 0.78 CNR2 (0.35) CA14CTSSCTSKALOX5CNR2
SCHEMBL1845039 0.78 SSTR4 (0.38) CA14EPHX1CTSSCTSKALOX5
SCHEMBL1843886 0.78 EPHX1 (0.38) CA14EPHX1CTSSCTSKALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
EP-2007788-A2 HCV INHIBITORS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 EPHX2 2031/4885CA14 1873/4885EPHX1 1057/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 EPHX2 1389/4885CA14 778/4885EPHX1 714/4885

“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.