SCHEMBL388328

SCHEMBL388328

Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(C#N)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.76
ABCG2 Q9UNQ0 12/20 0.47
ABCB1 P08183 6/20 0.44
ABCC1 P33527 2/20 0.44
GPR119 Q8TDV5 1/20 0.42
PTGDR Q13258 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7885215 0.84 CYP1A2 (0.76) CYP1A2ABCG2GPR119GPR84KDM4E
SCHEMBL390180 0.82 CYP1A2 (0.76) CYP1A2ABCG2ABCC1GPR119GPR84
SCHEMBL8376972 0.81 ABCG2 (0.56) CYP1A2ABCG2ABCB1ABCC1GPR119
SCHEMBL387141 0.80 CYP1A2 (0.76) CYP1A2GPR119GPR84
SCHEMBL387039 0.80 CYP1A2 (0.71) CYP1A2ABCG2GPR119GPR84KDM4E
SCHEMBL391954 0.78 CYP1A2 (0.85) CYP1A2GPR119GPR84KDM4EALDH1A1
SCHEMBL390889 0.76 CYP1A2 (0.76) CYP1A2GPR119GPR84KDM4EALDH1A1
SCHEMBL389483 0.74 CYP1A2 (0.79) CYP1A2GPR119GPR84KDM4EALDH1A1
SCHEMBL386352 0.74 CYP1A2 (0.79) CYP1A2GPR84KDM4EALDH1A1GAA
Oxalic Acid SCHEMBL29656847 0.71 CYP1A2 (0.90) CYP1A2GPR119GPR84KDM4EALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758565-B2 Method of identifying GLP-1 secretagogues ARENA PHARM INC (US) 2012-11-14 EP disclosed
US-8101626-B2 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-8030270-B2 Methods for identifying GLP-1 secretagogues ARENA PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-8022034-B2 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. (US) 2011-09-20 US disclosed
US-8003597-B2 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2322157-A1 Composition for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2322151-A2 Sustained release formulation comprising a GPR119 agonist and a DPP-IV inhibitor Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2322156-A1 Composition for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
US-20100298333-A1 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL ARENA PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto ARENA PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20100137293-A1 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL ARENA PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
EP-2116235-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-1808168-B1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARM INC (US) 2009-06-03 EP disclosed
EP-1758565-B1 Method of identifying GLP-1 secretagogues ARENA PHARM INC (US) 2009-05-13 EP disclosed
EP-1997484-A2 Method of identifying GLP-1 secretagogues Arena Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
EP-1808168-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
US-20070072804-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS (US) 2007-03-29 US disclosed
US-20060154866-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. 2006-07-13 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 (6 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-20070072804-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level GLP1R, GPR119, GIPR CYP1A2 4033/4885ABCG2 2496/4885ABCB1 1518/4885
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto GPR119, GLP1R, GPR4 CYP1A2 2735/4885ABCG2 1989/4885ABCB1 1655/4885
US-20100137293-A1 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL GLP1R, GPR119, GIPR CYP1A2 4033/4885ABCG2 2496/4885ABCB1 1518/4885
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto GPR119, GLP1R, GPR4 CYP1A2 2735/4885ABCG2 1989/4885ABCB1 1655/4885
US-20060154866-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level GLP1R, GPR119, GIPR CYP1A2 4033/4885ABCG2 2496/4885ABCB1 1518/4885
US-20100298333-A1 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL GLP1R, GPR119, GIPR CYP1A2 4033/4885ABCG2 2496/4885ABCB1 1518/4885

“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.