SCHEMBL388099

SCHEMBL388099

CCCCC1NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.56
LTB4R2 Q9NPC1 4/20 0.56
AGTR2 P50052 2/20 0.44
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
EDNRA P25101 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2B P41595 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC10A1 Q14973 1/20 0.42

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
SCHEMBL9671914 0.87 AGTR1 (0.58) AGTR1LTB4R2
SCHEMBL30929294 0.77 AGTR1 (0.43) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL7942076 0.76 AGTR1 (0.46) AGTR1LTB4R2AGTR2
SCHEMBL13127115 0.75 AGTR1 (0.44) AGTR1LTB4R2
SCHEMBL9081604 0.75 AGTR1 (0.46) AGTR1LTB4R2AGTR2
Irbesartan SCHEMBL2212239 0.75 AGTR1 (0.74) AGTR1LTB4R2AGTR2ABCC3ABCC4
Irbesartan SCHEMBL4246 0.75 AGTR1 (0.74) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9082860 0.74 AGTR1 (0.45) AGTR1LTB4R2AGTR2
SCHEMBL9084369 0.74 AGTR1 (0.45) AGTR1LTB4R2AGTR2
Irbesartan SCHEMBL4726034 0.74 AGTR1 (0.73) AGTR1LTB4R2AGTR2ABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726072-A2 Composition for the treatment of hypertension and congestive heart failure, containing an angiotensin II antagonist and an endopeptidase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-14 EP claimed
JP-8245385-A None JP disclosed
US-8796331-B2 Methods of treatment and pharmaceutical composition NOVARTIS AG (CH) 2014-08-05 US disclosed
US-20130158086-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2013-06-20 US disclosed
US-20130158085-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2013-06-20 US disclosed
US-8404744-B2 Methods of treatment and pharmaceutical composition NOVARTIS AG (CH) 2013-03-26 US disclosed
US-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2012-06-07 US disclosed
US-8101659-B2 Methods of treatment and pharmaceutical composition NOVARTIS AG (CH) 2012-01-24 US disclosed
US-7468390-B2 Angiotensin antagonist valsartan and an enkephalinase inhibitor; used to treat cardiovascular disorders NOVARTIS AG (CH) 2008-12-23 US disclosed
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 disclosed
US-20030144215-A1 Angiotensin antagonist valsartan and an enkephalinase inhibitor; used to treat cardiovascular disorders NOVARTIS PHARMACEUTICALS CORPORATION 2003-07-31 US disclosed
JP-H08245385-A TREATMENT OF HYPERTENSION AND CONGESTIVE HEART FAILURE BRISTOL MYERS SQUIBB CO 1996-09-24 JP disclosed
EP-0726072-A2 Composition for the treatment of hypertension and congestive heart failure, containing an angiotensin II antagonist and an endopeptidase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-14 EP disclosed
EP-0726072-A2 Composition for the treatment of hypertension and congestive heart failure, containing an angiotensin II antagonist and an endopeptidase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-14 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 (5 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 AGTR1 3/4885LTB4R2 1816/4885AGTR2 5/4885
US-20130158086-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION REN, AGTR1, TTR AGTR1 2/4885LTB4R2 2125/4885AGTR2 4/4885
US-20120138506-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION REN, MME, ACE AGTR1 4/4885LTB4R2 1382/4885AGTR2 5/4885
US-20130158085-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITION REN, AGTR1, TTR AGTR1 2/4885LTB4R2 2125/4885AGTR2 4/4885
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 AGTR1 2/4885LTB4R2 1815/4885AGTR2 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.