SCHEMBL3772837

SCHEMBL3772837

COCCCc1c[nH]c2ccc(C(C)C(CC(NC(=O)OC(C)(C)C)C3CC(C(C)C)C(=O)O3)C(C)C)cc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CTSL P07711 2/20 0.32
KLK7 P49862 1/20 0.31
TACR1 P25103 2/20 0.31
HTR1A P08908 1/20 0.31
SLC6A4 P31645 1/20 0.31
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
P4HB P07237 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL3770009 0.83 HTR1D (0.36) HTR1DHTR1BHTR1ASLC6A4MAPT
SCHEMBL4533872 0.83 HTR1D (0.31) HTR1DHTR1B
SCHEMBL8251805 0.82 REN (0.35)
SCHEMBL4756438 0.79 PDE2A (0.32) CTSK
SCHEMBL4756776 0.79 PDE2A (0.32) CTSK
SCHEMBL4756446 0.79 PDE2A (0.32) CTSK
SCHEMBL9907055 0.76 REN (0.35)
SCHEMBL9907042 0.76 REN (0.35)
SCHEMBL9907061 0.76 REN (0.34)
SCHEMBL4754048 0.74 BRD4 (0.30)

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.