SCHEMBL4606997

SCHEMBL4606997

CC(C)(C)c1ccc(C2CCCC2C(N)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.63
GAA P10253 1/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 3/20 0.38
EPHX1 P07099 2/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER2 P43116 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL4606990 0.82 ALDH1A1 (0.49) SLC6A2TDP1SLC6A4ALDH1A1EPHX1
SCHEMBL12999402 0.82 HTT (0.51) SLC6A2RAB9ANPC1LMNAMAPT
SCHEMBL4608244 0.80 SIRT2 (0.40) SLC6A2GAARAB9ASLC6A4EPHX1
SCHEMBL4371164 0.79 SLC6A4 (0.43) SLC6A2SLC6A4EPHX1SIRT2SIRT1
SCHEMBL4608380 0.79 SIRT2 (0.52) MAPTKMT2ASIRT2SIRT1
SCHEMBL4605333 0.79 HRH3 (0.46) SLC6A2RAB9ASLC6A4SIRT2SIRT1
SCHEMBL4371167 0.79 SLC6A4 (0.43) SLC6A2SLC6A4EPHX1SIRT2SIRT1
SCHEMBL4608144 0.79 SLC9A1 (0.50) SLC6A2SLC6A4SIRT2SIRT1SLC6A3
SCHEMBL4606839 0.78 KCNQ3 (0.50) SLC6A2LMNAMAPTSLC6A4ALDH1A1
SCHEMBL4606553 0.76 SLC6A2 (0.61) SLC6A2RAB9ANPC1LMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP claimed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US claimed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP claimed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO claimed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 US disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 WO disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed