SCHEMBL1712882

SCHEMBL1712882

CC(C)c1nc(N2CCC([C@H](C)CCOc3ccc(CS(C)(=O)=O)c(F)c3)CC2)no1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.41
KCNH2 Q12809 4/20 0.38
EGFR P00533 1/20 0.37
KCNE1 P15382 1/20 0.37
ACACB O00763 3/20 0.35
ACACA Q13085 2/20 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
SCHEMBL2371910 0.88 GPR119 (0.44) GPR119KCNH2ACACBACACA
SCHEMBL1713128 0.88 GPR119 (0.43) GPR119KCNH2EGFRKCNE1
SCHEMBL2568023 0.83 ACACB (0.39) GPR119KCNH2ACACBACACA
SCHEMBL2568018 0.83 ACACB (0.39) GPR119KCNH2ACACBACACA
SCHEMBL2370710 0.83 GPR119 (0.45) GPR119KCNH2
SCHEMBL2372093 0.79 GPR119 (0.49) GPR119KCNH2ACACBACACA
SCHEMBL2372097 0.79 GPR119 (0.49) GPR119KCNH2ACACBACACA
SCHEMBL27822139 0.77 GPR119 (0.33) GPR119KCNH2ACACB
SCHEMBL1712886 0.76 GPR119 (0.37) GPR119KCNH2
SCHEMBL2371660 0.76 GPR119 (0.56) GPR119KCNH2

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
US-20130109703-A1 Combination of a GPR119 Agonist and the DPP-IV Inhibitor Linagliptin for Use in the Treatment of Diabetes and Related Conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US claimed
EP-2547339-A1 COMBINATION OF A GPR119 AGONIST AND THE DPP-IV INHIBITOR LINAGLIPTIN FOR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-23 EP claimed
WO-2011113947-A1 COMBINATION OF A GPR119 AGONIST AND THE DPP-IV INHIBITOR LINAGLIPTIN FOR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 WO claimed
US-20100048631-A1 Piperidine GPCR Agonists PROSIDION LIMITED (GB) 2010-02-25 US claimed
US-20130310398-A1 Combination therapy for the treatment of diabetes and related conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-21 US disclosed
US-8513264-B2 Combination therapy for the treatment of diabetes and related conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-20 US disclosed
US-20130109703-A1 Combination of a GPR119 Agonist and the DPP-IV Inhibitor Linagliptin for Use in the Treatment of Diabetes and Related Conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2547339-A1 COMBINATION OF A GPR119 AGONIST AND THE DPP-IV INHIBITOR LINAGLIPTIN FOR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-23 EP disclosed
US-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011113947-A1 COMBINATION OF A GPR119 AGONIST AND THE DPP-IV INHIBITOR LINAGLIPTIN FOR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 WO disclosed
EP-2344195-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND RELATED CONDITIONS Boehringer Ingelheim International GmbH (DE) 2011-07-20 EP disclosed
WO-2010029089-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND RELATED CONDITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 WO disclosed
US-20100048631-A1 Piperidine GPCR Agonists PROSIDION LIMITED (GB) 2010-02-25 US disclosed
US-20100048631-A1 Piperidine GPCR Agonists PROSIDION LIMITED (GB) 2010-02-25 US disclosed
US-20100048631-A1 Piperidine GPCR Agonists PROSIDION LIMITED (GB) 2010-02-25 US disclosed
WO-2008081206-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2008-07-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130310398-A1 Combination therapy for the treatment of diabetes and related conditions GPR119, DPP4, GLP1R GPR119 1/4885KCNH2 3860/4885EGFR 2134/4885
US-20100048631-A1 Piperidine GPCR Agonists GPR119, GPR27, GLP1R GPR119 1/4885KCNH2 1128/4885EGFR 879/4885
US-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions GPR119, DPP4, GLP1R GPR119 1/4885KCNH2 3926/4885EGFR 1815/4885
US-20130109703-A1 Combination of a GPR119 Agonist and the DPP-IV Inhibitor Linagliptin for Use in the Treatment of Diabetes and Related Conditions GPR119, DPP4, GLP1R GPR119 1/4885KCNH2 3673/4885EGFR 1964/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.