SCHEMBL3769452

SCHEMBL3769452

COCCCc1c[nH]c2ccc(C(C)C(CC(NC(=O)OC(C)(C)C)C(O)CC(C(=O)Nc3ccc(F)cn3)C(C)C)C(C)C)cc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.33
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
MAPK1 P28482 5/20 0.32
CASP1 P29466 1/20 0.32
SPR P35270 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
MPO P05164 1/20 0.32
FFAR2 O15552 1/20 0.32

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
SCHEMBL3764889 0.77 CAPN1 (0.33) RENHTR1DHTR1B
SCHEMBL4531230 0.76 CYP3A4 (0.30)
SCHEMBL3769448 0.75 REN (0.41) REN
SCHEMBL4755820 0.74 REN (0.35) RENSPRHTR1DHTR1B
SCHEMBL5050472 0.73 HTR1D (0.35) CTSDSPRHTR1DHTR1B
SCHEMBL1047567 0.73 HTR1D (0.39) SPRHTR1DHTR1B
SCHEMBL1049891 0.72 MTNR1A (0.35) SPRMPO
SCHEMBL3772837 0.72 CAPN1 (0.34) HTR1DHTR1B
SCHEMBL4754633 0.72 CTSD (0.33) RENCTSDHTR1DHTR1B
SCHEMBL3769416 0.70 HTR1D (0.38) RENSPRHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851634-B2 5-amino 4-hydroxy-7-(1H-indolmethyl)-8-methylnonamide derivatives as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2010-12-14 US disclosed
EP-1717226-B1 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDOL-5-YL)-OCTAN AMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2009-01-21 EP disclosed
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension NOVARTIS AG (CH) 2008-11-13 US disclosed
EP-1724259-A1 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDAZOL-5-YL)-OCTAN AMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-11-22 EP disclosed
EP-1717226-A1 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDOL-5-YL)-OCTAN AMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-11-02 EP disclosed
EP-1712548-A2 5-AMINO-4-HYDROXY-7-(PYRIDINYLMETHYL)-ALKANAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-10-18 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 (1 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-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 REN 1/4885CTSD 1360/4885CTSE 1402/4885

“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.