SCHEMBL1712481

SCHEMBL1712481

Cc1c(OCCCC2CCN(c3nc(C(C)C)no3)CC2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.53
GPR183 P32249 1/20 0.48
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 2/20 0.40

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
SCHEMBL1712981 0.88 GPR119 (0.43) GPR119GPR183KCNH2
SCHEMBL1713416 0.85 GPR119 (0.55) GPR119GPR183CYP3A4CYP2C19KCNH2
SCHEMBL1713133 0.85 GPR119 (0.38) GPR119GPR183
SCHEMBL2371137 0.84 GPR119 (0.60) GPR119GPR183CYP3A4CYP2C19KCNH2
SCHEMBL2371526 0.83 GPR119 (0.61) GPR119GPR183CYP3A4CYP2C19KCNH2
SCHEMBL2370808 0.80 GPR119 (0.60) GPR119GPR183CYP3A4CYP2C19KCNH2
SCHEMBL2372132 0.79 GPR119 (0.79) GPR119GPR183CYP3A4CYP2C19KCNH2
SCHEMBL1713233 0.79 GPR119 (0.62) GPR119GPR183CYP3A4CYP2C19KCNH2
SCHEMBL2371631 0.78 GPR119 (0.55) GPR119GPR183CYP3A4CYP2C19KCNH2
SCHEMBL148647 0.78 GPR119 (0.55) GPR119GPR183CYP3A4CYP2C19KCNH2

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 13 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

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 1/4885GPR183 183/4885CYP3A4 943/4885
US-20100048631-A1 Piperidine GPCR Agonists GPR119, GPR27, GLP1R GPR119 1/4885GPR183 45/4885CYP3A4 2405/4885
US-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions GPR119, DPP4, GLP1R GPR119 1/4885GPR183 155/4885CYP3A4 1095/4885
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 62/4885CYP3A4 427/4885

“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.