SCHEMBL2634370

SCHEMBL2634370

COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.66
KCNK5 O95279 1/20 0.66
KCNA5 P22460 1/20 0.66
KCNK17 Q96T54 1/20 0.66
KCNK9 Q9NPC2 1/20 0.66
NPC1 O15118 2/20 0.66
KCNH2 Q12809 1/20 0.63
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL12434450 0.89 KCNK3 (0.73) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL12434091 0.86 KCNK3 (0.67) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL12434454 0.86 KCNK3 (0.81) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL16250691 0.85 NPC1 (0.62) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL16234809 0.82 NPC1 (0.58) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL16234810 0.82 NPC1 (0.58) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL12434401 0.82 KCNK3 (0.62) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL12434410 0.82 KCNA5 (0.62) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL6482880 0.81 NPC1 (0.57) KCNK3KCNK5KCNA5KCNK17KCNK9
SCHEMBL12434419 0.81 KCNK3 (0.66) KCNK3KCNK5KCNA5KCNK17KCNK9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438045-B1 CRYSTALLINE PHASES OF 2'-{[2-(4-METHOXY-PHENYL)-ACETYLAMINO]-METHYL}-BIPHENYL-2-CARBOXYLIC ACID (2-PYRIDIN-3-YL-ETHYL)-AMIDE SANOFI AVENTIS DEUTSCHLAND (DE) 2016-10-05 EP claimed
US-9056833-B2 Crystalline phases of 2′-{[2-(4-methoxy-phenyl)-acetylamino]-methyl}-biphenyl-2-carboxylic acid (2-pyridin-3-yl-ethyl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-06-16 US claimed
EP-2438045-A2 CRYSTALLINE PHASES OF 2'-{[2-(4-METHOXY-PHENYL)-ACETYLAMINO]-METHYL}-BIPHENYL-2-CARBOXYLIC ACID (2-PYRIDIN-3-YL-ETHYL)-AMIDE Sanofi-Aventis Deutschland GmbH (DE) 2012-04-11 EP claimed
WO-2010139585-A2 CRYSTALLINE PHASES OF 2'-{[2-(4-METHOXY-PHENYL)-ACETYLAMINO]-METHYL}-BIPHENYL-2-CARBOXYLIC ACID (2-PYRIDIN-3-YL-ETHYL)-AMIDE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-12-09 WO claimed
EP-1605976-B1 PHENYLCARBOXYL ACID AMIDES AND IK r CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP claimed
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-10 US claimed
US-20050038083-A1 Combination of phenylcarboxamides with blockers of the IKr channel and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-17 US claimed
EP-2438045-B1 CRYSTALLINE PHASES OF 2'-{[2-(4-METHOXY-PHENYL)-ACETYLAMINO]-METHYL}-BIPHENYL-2-CARBOXYLIC ACID (2-PYRIDIN-3-YL-ETHYL)-AMIDE SANOFI AVENTIS DEUTSCHLAND (DE) 2016-10-05 EP disclosed
US-9056833-B2 Crystalline phases of 2′-{[2-(4-methoxy-phenyl)-acetylamino]-methyl}-biphenyl-2-carboxylic acid (2-pyridin-3-yl-ethyl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-06-16 US disclosed
US-9056833-B2 Crystalline phases of 2′-{[2-(4-methoxy-phenyl)-acetylamino]-methyl}-biphenyl-2-carboxylic acid (2-pyridin-3-yl-ethyl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-06-16 US disclosed
WO-2014183221-A1 RESVERATROL ANALOGS AND THERAPEUTIC USES THEREOF THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2014-11-20 WO disclosed
CN-102459181-B Crystalline phases of 2' - { [2- (4-methoxy-phenyl) -acetylamino ] -methyl } -biphenyl-2-carboxylic acid (2-pyridin-3-yl-ethyl) -amide SANOFI AVENTIS DEUTSCHLAND 2014-05-07 CN disclosed
CN-102459181-A Crystalline phases of 2' - { [2- (4-methoxy-phenyl) -acetylamino ] -methyl } -biphenyl-2-carboxylic acid (2-pyridin-3-yl-ethyl) -amide SANOFI AVENTIS DEUTSCHLAND 2012-05-16 CN disclosed
EP-2438045-A2 CRYSTALLINE PHASES OF 2'-{[2-(4-METHOXY-PHENYL)-ACETYLAMINO]-METHYL}-BIPHENYL-2-CARBOXYLIC ACID (2-PYRIDIN-3-YL-ETHYL)-AMIDE Sanofi-Aventis Deutschland GmbH (DE) 2012-04-11 EP disclosed
WO-2010139585-A2 CRYSTALLINE PHASES OF 2'-{[2-(4-METHOXY-PHENYL)-ACETYLAMINO]-METHYL}-BIPHENYL-2-CARBOXYLIC ACID (2-PYRIDIN-3-YL-ETHYL)-AMIDE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-12-09 WO disclosed
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-10 US disclosed
US-20050038083-A1 Combination of phenylcarboxamides with blockers of the IKr channel and their use for the treatment of atrial arrhythmias AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-17 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 (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-20050038083-A1 Combination of phenylcarboxamides with blockers of the IKr channel and their use for the treatment of atrial arrhythmias KCNH2, KCNJ2, KCNH1 KCNK3 33/4885KCNK5 14/4885KCNA5 6/4885
US-20050054673-A1 Combination of phenylcarboxylic acid amides with beta-adrenoreceptor blockers and their use for the treatment of atrial arrhythmias SCN5A, KCNH1, KCNA5 KCNK3 84/4885KCNK5 16/4885KCNA5 3/4885

“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.