SCHEMBL1047741

SCHEMBL1047741

COCCCN1C(=O)COc2ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.57
TSHR P16473 3/20 0.56
KDM4E B2RXH2 1/20 0.48
POLB P06746 4/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 2/20 0.46
MAPT P10636 1/20 0.46
KMO O15229 1/20 0.45
HTT P42858 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
MCHR1 Q99705 1/20 0.44
BRD4 O60885 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL29209067 0.90 REN (0.49) RENTSHRKDM4EPOLBTP53
SCHEMBL30336446 0.90 REN (0.49) RENTSHRKDM4EPOLBTP53
SCHEMBL6721804 0.89 REN (0.56) RENTSHRKDM4EPOLBTP53
SCHEMBL89401 0.87 TSHR (0.71) RENTSHRPOLBTP53THRB
SCHEMBL6508989 0.86 REN (0.56) RENTSHRKDM4EPOLBTP53
SCHEMBL55503 0.86 REN (0.61) RENTSHRKDM4EPOLBTP53
SCHEMBL15850923 0.85 TSHR (0.49) TSHRKDM4EPOLBTP53KMO
SCHEMBL3065160 0.85 REN (0.55) RENTSHRKDM4EPOLBTP53
SCHEMBL927855 0.85 REN (0.55) RENTSHRKDM4EPOLBTP53
SCHEMBL78468 0.84 REN (0.54) RENTSHRKDM4EPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
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
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
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
EP-1707206-A1 Piperazine derivates for the inhibition of beta-secretase, cathepsin D, plasmepsin ll and HIV protease and for the treatment of malaria, Alzeheimer and AIDS Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
EP-1699762-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-09-13 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO disclosed
WO-2005090305-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO disclosed
WO-2005037803-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-04-28 WO 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 (2 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 1/4885TSHR 1124/4885KDM4E 2283/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C REN 1/4885TSHR 817/4885KDM4E 2793/4885

“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.