Candoxatril

Candoxatril

SCHEMBL392920

COCCOCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 1.00
PPARG P37231 3/20 0.36
PPARD Q03181 2/20 0.36
KDM4E B2RXH2 2/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.33

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
Candoxatril SCHEMBL121666 1.00 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL29494166 1.00 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL1649937 1.00 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL5601069 1.00 MME (1.00) MMEPPARGPPARDKDM4EPPARA
Candoxatril SCHEMBL14660450 0.98 MME (0.95) MMEPPARGPPARDKDM4EPPARA
SCHEMBL9470376 0.94 MME (0.88) MMEPPARGPPARDKDM4EPPARA
SCHEMBL16624679 0.92 MME (0.85) MMEPPARGPPARDKDM4EPPARA
SCHEMBL7322664 0.91 MME (0.83) MMEPPARGPPARDKDM4EPPARA
SCHEMBL7329974 0.91 MME (0.83) MMEPPARGPPARDKDM4EPPARA
SCHEMBL9469895 0.89 MME (0.80) MMEPPARGPPARDKDM4EPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US claimed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US claimed
US-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2012-06-07 US claimed
JP-4820056-B2 2011-11-24 JP claimed
US-20080262059-A1 AT 1-antagonist vaisertan or a pharmaceutically acceptable salt thereof; and(ii) a NEP inhibitor or a pharmaceutically acceptable salt thereof and optionally a pharmaceutically acceptable carrier and to a method for the treatment or prevention of a condition or diseaseselected from hypertension NOVARTIS AG (CH) 2008-10-23 US claimed
US-20080261958-A1 Combination of Organic Compounds WEBB RANDY LEE 2008-10-23 US claimed
US-20080119557-A1 A renin inhibitor, a neutral endopeptidase inhibitor, and optionally a diuretic and angiotensin II receptor blocker for the prevention or delay of a disease or condition mediated by angiotensin II and/or NEP activity; cardiovascular disorders; urogenital disorders of the kidneys; brain disorders WEBB RANDY LEE 2008-05-22 US claimed
EP-1863467-A2 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (US) 2007-12-12 EP claimed
WO-2007045663-A2 COMBINATION OF AN ATI RECEPTOR ANTAGONIST AND A NP INHIBITOR FRO TREATING IA HYPERTENSION AND HEARTFAILURE NOVARTIS AG (CH) 2007-04-26 WO claimed
WO-2006086456-A2 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-08-17 WO claimed
EP-1467728-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING VALSARTAN AND NEP INHIBITORS Novartis AG (CH) 2004-10-20 EP claimed
US-20030144215-A1 Angiotensin antagonist valsartan and an enkephalinase inhibitor; used to treat cardiovascular disorders NOVARTIS PHARMACEUTICALS CORPORATION 2003-07-31 US claimed
WO-2003059345-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING VALSARTAN AND NEP INHIBITORS NOVARTIS AG (CH) 2003-07-24 WO claimed
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US claimed
EP-0342850-B1 ENANTIOMERIC GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1992-05-20 EP claimed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US claimed
EP-0342850-A1 Enantiomeric glutaramide diuretic agents Pfizer Limited (GB) 1989-11-23 EP claimed
US-11642329-B2 Amorphous solid form of compounds containing S—N-valeryl-N- {[2′-( 1 H-tetrazole-5-yl)-biphenyl-4-yl]-methyl}-valine and (2R,4S)-5-biphenyl-4-yl-4-(3-carboxy-propionylamino)-2-methyl-pentanoic acid ethyl ester moieties and sodium cations NOVARTIS PHARMACEUTICALS CORPORATION (US) 2023-05-09 US disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
EP-0342850-A1 Enantiomeric glutaramide diuretic agents Pfizer Limited (GB) 1989-11-23 EP 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 (8 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-20030144215-A1 Angiotensin antagonist valsartan and an enkephalinase inhibitor; used to treat cardiovascular disorders MME, REN, AGTR1 MME 1/4885PPARG 2192/4885PPARD 1437/4885
US-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION REN, MME, ACE MME 2/4885PPARG 1442/4885PPARD 1623/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MME 12/4885PPARG 2492/4885PPARD 2638/4885
US-11642329-B2 Amorphous solid form of compounds containing S—N-valeryl-N- {[2′-( 1 H-tetrazole-5-yl)-biphenyl-4-yl]-methyl}-valine and (2R,4S)-5-biphenyl-4-yl-4-(3-carboxy-propionylamino)-2-methyl-pentanoic acid ethyl ester moieties and sodium cations MME, DNPEP, AGTR1 MME 1/4885PPARG 1684/4885PPARD 1690/4885
US-20080261958-A1 Combination of Organic Compounds REN, MME, ACE MME 2/4885PPARG 2226/4885PPARD 1446/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MME 12/4885PPARG 2492/4885PPARD 2638/4885
US-20080262059-A1 AT 1-antagonist vaisertan or a pharmaceutically acceptable salt thereof; and(ii) a NEP inhibitor or a pharmaceutically acceptable salt thereof and optionally a pharmaceutically acceptable carrier and to a method for the treatment or prevention of a condition or diseaseselected from hypertension REN, AGTR1, AGTR2 MME 4/4885PPARG 1370/4885PPARD 1286/4885
US-20080119557-A1 A renin inhibitor, a neutral endopeptidase inhibitor, and optionally a diuretic and angiotensin II receptor blocker for the prevention or delay of a disease or condition mediated by angiotensin II and/or NEP activity; cardiovascular disorders; urogenital disorders of the kidneys; brain disorders MME, REN, ACE MME 1/4885PPARG 2656/4885PPARD 1195/4885

“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.