SCHEMBL187122

SCHEMBL187122

CC(C)(C)OC(=O)ON1CCC(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.41
NAMPT P43490 1/20 0.41
MLYCD O95822 1/20 0.40
USP2 O75604 1/20 0.38
PDE5A O76074 7/20 0.37
HSD11B1 P28845 2/20 0.37
GPR119 Q8TDV5 2/20 0.36
LTA4H P09960 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
CCR1 P32246 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7303971 0.85 SLC18A3 (0.42) P2RY14NAMPTGPR119MAPT
SCHEMBL212216 0.83 USP30 (0.46) GPR119
SCHEMBL226854 0.81 NAMPT (0.59) P2RY14NAMPTUSP2GPR119KMT2A
SCHEMBL7299890 0.81 SLC18A3 (0.48) NAMPTPDE5AMAPT
SCHEMBL21410102 0.77 LTA4H (0.42) P2RY14NAMPTMLYCDPDE5ALTA4H
SCHEMBL7305192 0.77 NAMPT (0.47) NAMPTKMT2AMAPT
SCHEMBL14764299 0.76 DDB1 (0.41) NAMPTGPR119KMT2AMAPT
SCHEMBL4965437 0.76 PDE4B (0.57) P2RY14NAMPTHSD11B1GPR119KMT2A
SCHEMBL27622593 0.76 NAMPT (0.40) NAMPTHSD11B1CCR1MAPT
SCHEMBL28059915 0.76 CYP2C9 (0.51) NAMPTGPR119MAPT

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