SCHEMBL3764889

SCHEMBL3764889

COCCCc1c[nH]c2ccc(C(C)C(CC(NC(=O)OC(C)(C)C)C(CC(C(=O)O)C(C)C)O[Si](C)(C)C(C)(C)C)C(C)C)cc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
ACE P12821 1/20 0.32
MAPT P10636 3/20 0.32
P4HB P07237 2/20 0.32
POLB P06746 1/20 0.32
SCN9A Q15858 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SSTR3 P32745 1/20 0.31
TACR1 P25103 2/20 0.31
GAA P10253 1/20 0.31
REN P00797 2/20 0.31
TP53 P04637 1/20 0.31
CCKBR P32239 1/20 0.30
GHSR Q92847 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3769452 0.77 REN (0.33) HTR1DHTR1BREN
SCHEMBL4539260 0.75 HTR1D (0.38) HTR1DHTR1BREN
SCHEMBL3769416 0.75 HTR1D (0.38) HTR1DHTR1BREN
SCHEMBL3772837 0.74 CAPN1 (0.34) CAPN1HTR1DHTR1BMAPTP4HB
SCHEMBL5050472 0.73 HTR1D (0.35) HTR1DHTR1BMAPTPOLBTP53
SCHEMBL1047567 0.73 HTR1D (0.39) HTR1DHTR1BPOLB
SCHEMBL3764887 0.73 REN (0.34) REN
SCHEMBL1049084 0.72 KMT2A (0.38) HTR1DHTR1BPOLB
SCHEMBL1049891 0.72 MTNR1A (0.35) MAPTPOLBTP53
SCHEMBL1083534 0.72 CASP1 (0.40) HTR1DHTR1BPOLB

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 CAPN1 429/4885HTR1D 197/4885HTR1B 213/4885

“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.