SCHEMBL4449228

SCHEMBL4449228

CC(C)OC(=O)C=CCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.54
LMNA P02545 4/20 0.44
GABRR1 P24046 3/20 0.44
GABRR2 P28476 2/20 0.44
BLM P54132 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
APEX1 P27695 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL8118802 1.00 HCAR2 (0.54) HCAR2LMNAGABRR1GABRR2BLM
SCHEMBL317284 0.80 GABRR1 (0.39) HCAR2LMNAGABRR1GABRR2BLM
SCHEMBL691429 0.80 HCAR2 (0.56) HCAR2LMNATSHRTDP1CA12
SCHEMBL28414984 0.80 HCAR2 (0.56) HCAR2LMNATSHRTDP1CA12
SCHEMBL27110712 0.80 HCAR2 (0.56) HCAR2LMNATSHRTDP1CA12
SCHEMBL691430 0.80 HCAR2 (0.56) HCAR2LMNATSHRTDP1CA12
SCHEMBL27731569 0.78 HCAR2 (0.54) HCAR2LMNATSHRTDP1CA12
SCHEMBL177748 0.78 HCAR2 (0.80) HCAR2LMNATSHRTDP1CA12
SCHEMBL177747 0.78 HCAR2 (0.80) HCAR2LMNATSHRTDP1CA12
SCHEMBL178194 0.78 HCAR2 (0.80) HCAR2LMNATSHRTDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657430-B1 Isopropyl-(2-methoxyethyl)-4-(2-chloro-3-cyano-phenyl)-1,4-dihydro-2,6-dimethyl-piridine-3,5-dicarboxylate BAYER AG (DE) 1999-06-02 EP claimed
US-5665740-A Isopropyl 2-methoxyethyl 4-(2-chloro-3-cyano-phenyl)-1, 4-dihydro-2,6-dimethyl-pyridine-3,5-dica rboxylate BAYER AKTIENGESELLSCHAFT (DE) 1997-09-09 US claimed
EP-0657430-A1 Isopropyl-(2-methoxyethyl)-4-(2-chloro-3-cyano-phenyl)-1,4-dihydro-2,6-dimethyl-piridine-3,5-dicarboxylate BAYER AG (DE) 1995-06-14 EP claimed
US-20090156639-A1 COMPOSITIONS AND METHODS OF TREATMENT USING L-TYPE CALCIUM CHANNEL BLOCKERS AND CHOLINESTERASE INHIBITORS TRIPPODI-MURPHY CRISTA 2009-06-18 US disclosed
US-20090069361-A1 METHODS OF TREATMENT USING (+)- ISOPROPYL 2-METHOXYETHYL 4-(2-CHLORO-3-CYANO-PHENYL)-1, 4-DIHYDRO-2, 6-DIMETHYL-PYRIDINE-3, 5-DICARBOXYLATE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
EP-1952824-A1 Compositions and methods of treatment using L-type calcium channel blockers and cholinesterase inhibitors Memory Pharmaceuticals Corporation (US) 2008-08-06 EP disclosed
EP-1684806-B1 COMPOSITIONS COMPRISING L-TYPE CALCIUM CHANNEL BLOCKERS AND CHOLINESTERASE INHIBITORS MEMORY PHARM CORP (US) 2008-06-25 EP disclosed
US-20080026081-A1 Methods of Treatment Using (+)-Isopropyl 2-Ethoxyethyl-4-(2-Chloro-3-Cyano-Phenyl)-1,4-Dihydro-2,6-Dimethyl-Pyridine-3,5-Dicarboxylate MEMORY PHARMACEUTICALS CORPORATION 2008-01-31 US disclosed
EP-1684755-A1 USE OF (+)-ISOPROPYL 2-METHOXYETHYL 4-(2-CHLORO-3-CYANO-PHENYL)-1,4-DIHYDRO-2,6-DYMETHYL-PYRIDINE-3,5-DICARBOXYLATE IN THE TREATMENT OF MEMORY DISORDERS Memory Pharmaceutical Corporation (US) 2006-08-02 EP disclosed
EP-1684806-A1 COMPOSITIONS AND METHODS OF TREATMENT USING L-TYPE CALCIUM CHANNEL BLOCKERS AND CHOLINESTERASE INHIBITORS Memory Pharmaceutical Corporation (US) 2006-08-02 EP disclosed
US-20050153953-A1 Compositions and methods of treatment using L-type calcium channel blockers and cholinesterase inhibitors MEMORY PHARMACEUTICAL 2005-07-14 US disclosed
WO-2005051426-A1 COMPOSITIONS AND METHODS OF TREATMENT USING L-TYPE CALCIUM CHANNEL BLOCKERS AND CHOLINESTERASE INHIBITORS MEMORY PHARMACEUTICAL CORPORATION (US) 2005-06-09 WO disclosed
WO-2005051389-A1 USING OF (+)-ISOPROPYL 2-METHOXYETHYL 4-(2-CHLORO-3-CYANO-PHENYL)-1,4-DIHYDRO-2,6-DYMETHYL-PYRIDINE-3,5-DICARBOXYLATE IN THE TREATMENT OF MEMORY DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-06-09 WO disclosed
EP-0657430-B1 Isopropyl-(2-methoxyethyl)-4-(2-chloro-3-cyano-phenyl)-1,4-dihydro-2,6-dimethyl-piridine-3,5-dicarboxylate BAYER AG (DE) 1999-06-02 EP disclosed
US-5665740-A Isopropyl 2-methoxyethyl 4-(2-chloro-3-cyano-phenyl)-1, 4-dihydro-2,6-dimethyl-pyridine-3,5-dica rboxylate BAYER AKTIENGESELLSCHAFT (DE) 1997-09-09 US disclosed
EP-0657430-A1 Isopropyl-(2-methoxyethyl)-4-(2-chloro-3-cyano-phenyl)-1,4-dihydro-2,6-dimethyl-piridine-3,5-dicarboxylate BAYER AG (DE) 1995-06-14 EP disclosed