SCHEMBL2398652

SCHEMBL2398652

Cc1cc(OCCCC2CCN(c3nc(CC(C)C)no3)CC2)ccc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.41
KCNH2 Q12809 1/20 0.39
CHUK O15111 1/20 0.35
INSR P06213 1/20 0.35
MAPK8 P45983 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CHEK2 O96017 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL2567580 0.92 GPR119 (0.40) GPR119KCNH2LNPEPNPC1RAB9A
SCHEMBL2371149 0.91 GPR119 (0.40) GPR119KCNH2NPC1RAB9AHRH3
SCHEMBL1843013 0.89 NPC1 (0.41) GPR119KCNH2NPC1RAB9AHRH3
SCHEMBL2371544 0.89 GPR119 (0.39) GPR119KCNH2NPC1RAB9AHRH3
SCHEMBL2399814 0.88 GPR119 (0.51) GPR119KCNH2CHUKINSRMAPK8
SCHEMBL2371743 0.87 GPR119 (0.38) GPR119KCNH2NPC1RAB9AHRH3
SCHEMBL2371088 0.87 HRH3 (0.37) GPR119KCNH2NPC1RAB9AHRH3
SCHEMBL2216608 0.86 GPR119 (0.43) GPR119KCNH2NPC1RAB9AHRH3
SCHEMBL12434661 0.85 GPR119 (0.40) GPR119KCNH2NPC1RAB9AHRH3
SCHEMBL2371015 0.85 GPR119 (0.40) GPR119KCNH2NPC1RAB9AHRH3

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 12 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-20100022591-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-28 US 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
EP-2383270-A1 Piperidine GPCR agonists Prosidion Limited (GB) 2011-11-02 EP 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
US-20100022591-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-28 US disclosed
US-20100022591-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-28 US disclosed
US-20100022591-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-28 US disclosed
WO-2008081205-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-20100022591-A1 PIPERIDINE GPCR AGONISTS GPR119, GPR27, GLP1R GPR119 1/4885KCNH2 1128/4885CHUK 1316/4885
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 3673/4885CHUK 2321/4885

“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.