SCHEMBL1048933

SCHEMBL1048933

COCCCc1cn(C)c2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
HTR6 P50406 1/20 0.46
SPR P35270 1/20 0.43
HTR1D P28221 1/20 0.42
IDO1 P14902 1/20 0.42
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DYRK1A Q13627 1/20 0.40
PDK1 Q15118 1/20 0.38
HTR2A P28223 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL91361 0.84 ADRB2 (0.49) ADRB2LMNAKDM4EMAPTHTR6
SCHEMBL13962818 0.83 ADRB2 (0.48) ADRB2LMNAKDM4EMAPTHTR6
SCHEMBL13962816 0.83 ADRB2 (0.48) ADRB2LMNAKDM4EMAPTHTR6
SCHEMBL78428 0.81 ADRB2 (0.46) ADRB2LMNAKDM4EMAPTHTR6
SCHEMBL8243638 0.79 HTR2A (0.61) LMNAKDM4EHTR2AHDAC3HDAC1
SCHEMBL21333400 0.79 HTR1D (0.64) ADRB2LMNAKDM4EMAPTHTR6
SCHEMBL1049675 0.78 ADRB2 (0.37) ADRB2LMNAKDM4EMAPTHTR6
SCHEMBL1083533 0.76 IDO1 (0.42) LMNAKDM4EMAPTHTR6IDO1
SCHEMBL28566679 0.75 ADRB2 (0.41) ADRB2LMNAKDM4EMAPTHTR6
SCHEMBL13131399 0.75 IDO1 (0.47) LMNAHTR6IDO1DYRK1AALDH1A1

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 14 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-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 US disclosed
CN-101522610-A Nitrate esters of amino alcohols SPEEDEL EXPERIMENTA AG (CH) 2009-09-02 CN 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-1911762-A1 Amino alcohols and their use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 EP 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-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP 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
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 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 (3 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 ADRB2 54/4885LMNA 106/4885KDM4E 2283/4885
US-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 ADRB2 73/4885LMNA 1456/4885KDM4E 2080/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C ADRB2 147/4885LMNA 3013/4885KDM4E 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.