SCHEMBL373475

SCHEMBL373475

CC(C)(C)OC(=O)ON1CCC(OC(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
CHRM1 P11229 3/20 0.32
CHRM2 P08172 2/20 0.32
MLNR O43193 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 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
SCHEMBL212033 0.80 CHRM2 (0.42) CHRM3HPGDCHRM1CHRM2GPR119
SCHEMBL3817248 0.79 USP2 (0.35) CHRM3HPGDCHRM1CHRM2RECQL
SCHEMBL955955 0.78 GPR119 (0.35) CHRM3HPGDCHRM1CHRM2GPR119
SCHEMBL1935995 0.78 CHRM2 (0.34) CHRM3HPGDCHRM1CHRM2GPR119
SCHEMBL2566080 0.77 HPGD (0.54) MEN1KMT2AHPGDGPR119RECQL
SCHEMBL1133757 0.75 NR1H2 (0.43) CHRM3KMT2AHPGDCHRM1CHRM2
SCHEMBL373788 0.75 SMN1; SMN2 (0.43) MEN1KMT2AHPGDCHRM1HSD17B10
SCHEMBL2326335 0.75 EPHX1 (0.40) CHRM3HPGDCHRM1CHRM2RECQL
SCHEMBL4434089 0.75 HPGD (0.39) CHRM3MEN1KMT2AHPGDCHRM1
SCHEMBL7294503 0.75 KHK (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 EP disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
EP-2215092-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed