SCHEMBL389938

SCHEMBL389938

O=C(O)CNC[C@H](Cc1ccc(-c2ccccc2)cc1)CC(COc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.69
ACE P12821 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL389939 0.82 MME (1.00) MME
SCHEMBL10983129 0.70 CYP1A2 (0.66) MME
SCHEMBL28526383 0.67 MME (0.55) MMEACE
SCHEMBL11134968 0.66 CPA3 (0.57) MMEFFAR1
SCHEMBL19358484 0.65 ACE (0.39) MMEACE
SCHEMBL7087892 0.64 LMNA (0.50) MME
SCHEMBL5514903 0.64 TBXA2R (0.47) MMEFFAR1
Hydrochloric Acid SCHEMBL17923802 0.64 FFAR1 (0.54) MMEACEFFAR1
SCHEMBL27158616 0.64 TSHR (0.49)
Hydrochloric Acid SCHEMBL17923801 0.64 FFAR1 (0.54) MMEACEFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052579-A1 PHARMACEUTICAL PREPARATION AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2021-02-25 US claimed
EP-3763373-A1 PHARMACEUTICAL FORMULATION AND USE THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-01-13 EP claimed
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
EP-1951309-A2 COMBINATION OF AN ANGIOTENSIN II RECEPTOR BLOCKER, A CALCIUM CHANNEL BLOCKER AND ANOTHER ACTIVE AGENT Novartis AG (CH) 2008-08-06 EP 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-2007056324-A2 COMBINATION OF AN ANGIOTENSIN II RECEPTOR BLOCKER, A CALCIUM CHANNEL BLOCKER AND ANOTHER ACTIVE AGENT NOVARTIS AG (CH) 2007-05-18 WO 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
JP-7157459-A None JP disclosed
WO-2003059345-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING VALSARTAN AND NEP INHIBITORS NOVARTIS AG (CH) 2003-07-24 WO disclosed
JP-H07157459-A BIPHENYLMETHYL-SUBSTITUTED VALERYLAMIDE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1995-06-20 JP 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 1/4885ACE 8/4885FFAR1 442/4885
US-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION REN, MME, ACE MME 2/4885ACE 3/4885FFAR1 907/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MME 12/4885ACE 34/4885FFAR1 2596/4885
US-20080261958-A1 Combination of Organic Compounds REN, MME, ACE MME 2/4885ACE 3/4885FFAR1 1708/4885
US-20210052579-A1 PHARMACEUTICAL PREPARATION AND USE THEREOF PREP, PEPD, FURIN MME 4/4885ACE 152/4885FFAR1 2449/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MME 12/4885ACE 34/4885FFAR1 2596/4885
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 4/4885ACE 40/4885FFAR1 176/4885
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 1/4885ACE 3/4885FFAR1 2455/4885

“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.