SCHEMBL3209837

SCHEMBL3209837

CC(C)c1noc(N2CCC(CCCOc3ccc(C(=O)O)nc3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.53
GPR183 P32249 1/20 0.53
KCNH2 Q12809 2/20 0.46
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ACACB O00763 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL3202075 0.91 GPR119 (0.52) GPR119GPR183KCNH2CYP4F2CYP4A11
SCHEMBL2566410 0.88 GPR119 (0.58) GPR119GPR183KCNH2
SCHEMBL2399158 0.87 GPR119 (0.49) GPR119GPR183KCNH2CYP4F2CYP4A11
SCHEMBL3205084 0.86 GPR119 (0.50) GPR119GPR183KCNH2
SCHEMBL1922600 0.86 GPR119 (0.52) GPR119GPR183KCNH2
SCHEMBL149441 0.85 GPR119 (0.54) GPR119GPR183KCNH2CYP4F2CYP4A11
SCHEMBL14138942 0.85 GPR119 (0.54) GPR119GPR183KCNH2CYP4F2CYP4A11
SCHEMBL1834757 0.84 GPR119 (0.50) GPR119GPR183KCNH2
SCHEMBL2399035 0.84 GPR119 (0.71) GPR119GPR183KCNH2
SCHEMBL3221208 0.83 GPR119 (0.53) GPR119GPR183KCNH2CYP4F2CYP4A11

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 10 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
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-20100048625-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-02-25 US disclosed
US-20100048625-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-02-25 US disclosed
US-20100048625-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-02-25 US disclosed
EP-2114936-A1 PIPERIDINE GPCR AGONISTS Prosidion Limited (GB) 2009-11-11 EP disclosed
WO-2008081208-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2008-07-10 WO disclosed
WO-2008081208-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 (2 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-20100048625-A1 PIPERIDINE GPCR AGONISTS GPR119, GPR27, GLP1R GPR119 1/4885GPR183 45/4885KCNH2 1128/4885
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 1/4885GPR183 62/4885KCNH2 3673/4885

“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.