SCHEMBL10033

SCHEMBL10033

CCCCC(=O)N(CC(=O)O)Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.70
LTB4R2 Q9NPC1 12/20 0.54
ABCB11 O95342 1/20 0.47
GP6 Q9HCN6 1/20 0.47

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
SCHEMBL2673 0.91 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6
SCHEMBL2969136 0.91 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6
SCHEMBL2118 0.89 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6
SCHEMBL2789 0.88 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6
SCHEMBL3138 0.88 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6
SCHEMBL9429098 0.87 LTB4R2 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL28456750 0.87 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL3042 0.87 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL2969141 0.87 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6
SCHEMBL6683646 0.87 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP claimed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
WO-2020039394-A1 NEW DRUG COMBINATIONS NOVARTIS AG (CH) 2020-02-27 WO disclosed
US-20200016109-A1 COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-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 CATIONS NOVARTIS AG (CH) 2020-01-16 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
EP-2067470-A1 Pharmaceutical compositions containing valsartan and process for its preparation Laboratorios Lesvi, S.L. (ES) 2009-06-10 EP disclosed
WO-2008148599-A2 PROCESS FOR OBTAINING A VALSARTAN SALT USEFUL FOR OBTAINING VALSARTAN INKE, S.A. (ES) 2008-12-11 WO disclosed
WO-2007085399-A1 USE OF A COMBINATION OF VALSARTAN AND A CALCIUM CHANNEL BLOCKER IN THE TREATMENT OF INSUFFICIENT BLOOD FLOW AND CEREBRAL FUNCTIONAL DISORDERS NOVARTIS AG (CH) 2007-08-02 WO disclosed
EP-1140071-B1 USE OF AT-1 RECEPTOR ANTAGONIST OR AT-2 RECEPTOR MODULATOR FOR TREATING DISEASES ASSOCIATED WITH AN INCREASE OF AT-1 OR AT-2 RECEPTORS NOVARTIS AG (CH) 2007-02-21 EP disclosed
WO-2005110480-A2 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-11-24 WO disclosed
WO-2005030202-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS FOR TREATING CEREBROVASCULAR DISORDERS NOVARTIS AG (CH) 2005-04-07 WO disclosed
WO-2004101535-A1 PHARMACEUTICAL COMPOSITION COMPRISING VALSARTAN NOVARTIS AG (CH) 2004-11-25 WO disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR1 3252/4885LTB4R2 609/4885ABCB11 4659/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885LTB4R2 254/4885ABCB11 4566/4885
US-20200016109-A1 COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-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 CATIONS MME, DNPEP, ANPEP AGTR1 4/4885LTB4R2 1393/4885ABCB11 1638/4885

“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.