SCHEMBL56711

SCHEMBL56711

O=C1[CH]Sc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.48
MAPT P10636 8/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NOX1 Q9Y5S8 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX15 P16050 3/20 0.48
SNCA P37840 3/20 0.48
POLB P06746 2/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX12 P18054 1/20 0.48
MAOA P21397 1/20 0.48
CNR1 P21554 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL611950 0.79 GAA (0.45) GAAMAPTMEN1KMT2ANOX1
SCHEMBL10650019 0.74 MAPT (0.48) GAAMAPTMEN1KMT2ANOX1
SCHEMBL10648456 0.74 NOX1 (0.48) GAAMAPTMEN1KMT2ANOX1
Acetic Acid SCHEMBL9853361 0.71 GAA (0.41) GAAMAPTMEN1KMT2ANOX1
SCHEMBL9834304 0.69 GAA (0.40) GAAMAPTMEN1KMT2ANOX1
SCHEMBL10352650 0.68 MAPT (0.52) GAAMAPTMEN1KMT2ANOX1
SCHEMBL11073891 0.68 L3MBTL1 (0.49) GAAMAPTMEN1KMT2ANOX1
SCHEMBL10352648 0.68 GAA (0.52) GAAMAPTMEN1KMT2ANOX1
Phenothiazine SCHEMBL9809707 0.68 NOX1 (0.71) GAAMAPTMEN1KMT2ANOX1
SCHEMBL1133521 0.67 GAA (0.50) GAAMAPTMEN1KMT2ANOX1

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 250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US claimed
EP-2163245-A1 Renin inhibitors for the treatment of psoriasis Novartis Ag (CH) 2010-03-17 EP claimed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US claimed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US claimed
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 claimed
EP-1987834-A2 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2008-11-05 EP claimed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP claimed
US-20080076766-A1 Piperidine Derivatives As Renin Inhibitor SPEEDEL EXPERIMENTA AG (CH) 2008-03-27 US claimed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US claimed
EP-1888569-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2008-02-20 EP claimed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO claimed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP claimed
WO-2006103273-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO claimed
EP-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP claimed
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 claimed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP claimed
WO-2006005741-A2 PIPERDINE DERIVATIVES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 WO claimed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO claimed
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 claimed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080076766-A1 Piperidine Derivatives As Renin Inhibitor REN, AGTR1, ACE GAA 429/4885MAPT 4106/4885MEN1 2165/4885
US-20090012055-A1 Organic compounds REN, ACE, ACE2 GAA 92/4885MAPT 2397/4885MEN1 2817/4885
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 GAA 3278/4885MAPT 4795/4885MEN1 1485/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 GAA 149/4885MAPT 2461/4885MEN1 1796/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C GAA 1182/4885MAPT 1300/4885MEN1 1572/4885

“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.