SCHEMBL693163

SCHEMBL693163

CC(C)(C)OC(=O)N1CCC(C2=CC[CH]C=C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
THRB P10828 1/20 0.50
GPR119 Q8TDV5 7/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
HPGD P15428 1/20 0.44
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5758766 0.85 BRD4 (0.40) MAPTKDM4ETHRBALDH1A1EPHX1
SCHEMBL693679 0.79 MAPT (0.50) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL188769 0.77 ALDH1A1 (0.42) MAPTALDH1A1NPC1L3MBTL1KMT2A
SCHEMBL6639795 0.76 ALDH1A1 (0.46) MAPTGPR119NAMPTALDH1A1KMT2A
SCHEMBL2483206 0.73 USP2 (0.39) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL3436365 0.71 GPR119 (0.58) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL21284377 0.71 THRB (0.50) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL3843148 0.71 NAMPT (0.66) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL12117456 0.70 GPR119 (0.65) MAPTKDM4ETHRBGPR119PTPN2
SCHEMBL693162 0.70 NAMPT (0.58) MAPTKDM4ETHRBGPR119PTPN2

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
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed