SCHEMBL187570

SCHEMBL187570

CC(C)(C)OC(=O)ON1CCC(Oc2ccc(C3=NCCO3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.40
GPR119 Q8TDV5 4/20 0.39
CHEK2 O96017 1/20 0.38
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LTA4H P09960 1/20 0.37
MCHR1 Q99705 1/20 0.35

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
SCHEMBL558083 0.85 GPR119 (0.54) GPR119CHEK2HRH3
SCHEMBL373517 0.79 GPR119 (0.46) GPR119CHEK2HRH3
SCHEMBL3724395 0.79 GPR119 (0.46) GPR119CHEK2HRH3
SCHEMBL7308360 0.76 GPR119 (0.44) GPR119CHEK2HRH3
SCHEMBL14795178 0.73 ACACB (0.49) GPR119
SCHEMBL16245410 0.73 LMNA (0.44) ACKR3GPR119KCNH2HRH3LTA4H
SCHEMBL373589 0.72 MAPT (0.42) GPR119HRH3
SCHEMBL187160 0.70 HRH1 (0.49) CHEK2KCNH2HRH3LTA4H
SCHEMBL373999 0.69 HRH3 (0.57) GPR119KCNH2HRH3
SCHEMBL16752620 0.69 AR (0.47) GPR119HRH3

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 11 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-2400962-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO 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