SCHEMBL1050879

SCHEMBL1050879

COCCCc1c(C)n(C)c2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.44
PLA2G4A P47712 1/20 0.38
PTGER4 P35408 2/20 0.38
DYRK1A Q13627 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13962827 0.83 SPR (0.44) SPRPTGER4ALDH1A1MAPTHSD17B10
SCHEMBL13962819 0.83 SPR (0.44) SPRPTGER4ALDH1A1MAPTHSD17B10
SCHEMBL8243645 0.79 GPR3 (0.47) SPRPTGER4ALDH1A1MAPTHSD17B10
SCHEMBL18509730 0.76 PLA2G4A (0.47) SPRPLA2G4AMAPTCNR2
SCHEMBL1048933 0.74 ADRB2 (0.48) SPRDYRK1AIDO1ALDH1A1MAPT
SCHEMBL1051347 0.73 DYRK1A (0.39) PTGER4DYRK1AIDO1ALDH1A1HSD17B10
SCHEMBL3772057 0.72 MCL1 (0.43) PTGER4DYRK1AIDO1ALDH1A1POLB
SCHEMBL3852409 0.72 PLA2G2A (0.46) PLA2G4AALDH1A1NPC1KMT2AKDM4E
SCHEMBL14745539 0.71 MAPT (0.53) ALDH1A1NPC1MAPTHSD17B10KMT2A
SCHEMBL31735805 0.71 PTGER4 (0.47) PTGER4DYRK1AALDH1A1MAPTHSD17B10

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 7 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
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
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
CN-1934082-A Organic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 CN 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

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 SPR 1026/4885PLA2G4A 1188/4885PTGER4 337/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C SPR 107/4885PLA2G4A 4367/4885PTGER4 780/4885

“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.