SCHEMBL389331

SCHEMBL389331

CCOC(=O)C1CCN(c2nc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Br)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
GPR119 Q8TDV5 5/20 0.44
VCAM1 P19320 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
CTSB P07858 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SERPINE1 P05121 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 1/20 0.40
NFKBIA P25963 1/20 0.40
RELA Q04206 1/20 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
SCHEMBL4703363 0.90 SERPINE1 (0.41) MAPTALDH1A1TDP1GPR119CTSB
SCHEMBL5577912 0.87 CTSB (0.43) MAPTALDH1A1TDP1GPR119VCAM1
SCHEMBL388686 0.81 MAPT (0.50) MAPTALDH1A1GPR119VCAM1TP53
SCHEMBL6227875 0.77 NFKBIA (0.36) ALDH1A1MEN1KMT2AEPHX2NFKBIA
SCHEMBL12643869 0.75 MAPT (0.70) MAPTALDH1A1TDP1VCAM1TP53
SCHEMBL388959 0.74 GPR119 (0.49) MAPTALDH1A1TDP1GPR119VCAM1
SCHEMBL390260 0.74 CTSB (0.51) MAPTALDH1A1GPR119VCAM1TP53
SCHEMBL4706571 0.73 MAPT (0.60) MAPTALDH1A1TDP1GPR119VCAM1
SCHEMBL390890 0.71 CTSB (0.47) MAPTALDH1A1GPR119VCAM1TP53
SCHEMBL17305385 0.70 LGMN (0.53) MAPTALDH1A1TP53HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606282-B1 PHENYL- AND PYRIDYLPIPEREIDINYE-DERIVATIVES AS MODULATORS OF GLUCOSE METABOLISM ARENA PHARM INC (US) 2008-11-12 EP claimed
US-20070066590-A1 Phenyl-and pyridylpiperidine-derivatives as modulators of glucose metabolism ARENA PHARMACEUTICALS, INC. 2007-03-22 US claimed
EP-1758565-B2 Method of identifying GLP-1 secretagogues ARENA PHARM INC (US) 2012-11-14 EP disclosed
US-8198232-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) 2012-06-12 US 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-2322150-A2 Method of identifying GLP-1 secretagogues 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
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO 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-20070066590-A1 Phenyl-and pyridylpiperidine-derivatives as modulators of glucose metabolism ARENA PHARMACEUTICALS, INC. 2007-03-22 US disclosed
US-20070066590-A1 Phenyl-and pyridylpiperidine-derivatives as modulators of glucose metabolism ARENA PHARMACEUTICALS, INC. 2007-03-22 US disclosed
US-20070066590-A1 Phenyl-and pyridylpiperidine-derivatives as modulators of glucose metabolism ARENA PHARMACEUTICALS, INC. 2007-03-22 US disclosed
EP-1758565-A2 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) 2007-03-07 EP disclosed
WO-2006076231-A2 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) 2006-07-20 WO 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 (3 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 MAPT 4045/4885ALDH1A1 2154/4885TDP1 2783/4885
US-20070066590-A1 Phenyl-and pyridylpiperidine-derivatives as modulators of glucose metabolism GPR119, PC, PLPBP MAPT 3871/4885ALDH1A1 260/4885TDP1 2988/4885
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 MAPT 4045/4885ALDH1A1 2154/4885TDP1 2783/4885

“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.