SCHEMBL924702

SCHEMBL924702

[C]1=COc2ncccc2N1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL18852 0.69 NPC1 (0.34)
SCHEMBL154513 0.67 ALOX5 (0.39)
SCHEMBL30931514 0.67 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL9099992 0.67 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL2035350 0.67 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL16427955 0.64 CYP1A2 (0.39) CA12CA1CA2CA9
SCHEMBL15226257 0.61 GSK3B (0.34) CA12CA1CA2CA9
SCHEMBL16430005 0.61 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL28783640 0.61
SCHEMBL3668283 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US claimed
EP-2061751-A1 NITRATE ESTERS OF AMINOALCOHOLS Novartis Ag (CH) 2009-05-27 EP claimed
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES NOVARTIS AG (CH) 2009-01-29 US claimed
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP claimed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 WO claimed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US claimed
US-10201531-B2 Indazolyl-oxo-isothiazole compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-02-12 US disclosed
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
EP-2291351-A1 ALPHA-MERCAPTO-AMIDES Novartis AG (CH) 2011-03-09 EP disclosed
US-20110009399-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-01-13 US disclosed
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES NOVARTIS AG 2010-10-07 US disclosed
EP-2163245-A1 Renin inhibitors for the treatment of psoriasis Novartis Ag (CH) 2010-03-17 EP disclosed
WO-2009135526-A1 ALPHA-MERCAPTO-AMIDES NOVARTIS AG (CH) 2009-11-12 WO disclosed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 WO disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 (7 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-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ CA12 4065/4885CA1 1025/4885CA2 754/4885
US-20110009399-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 CA12 4090/4885CA1 3823/4885CA2 725/4885
US-10201531-B2 Indazolyl-oxo-isothiazole compounds KEAP1, NFE2L2, NQO1 CA12 4693/4885CA1 4577/4885CA2 2191/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 CA12 4721/4885CA1 4093/4885CA2 640/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 CA12 4730/4885CA1 4089/4885CA2 704/4885
US-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES REN, AGTR2, ACE CA12 4640/4885CA1 4556/4885CA2 831/4885
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES REN, AGTR1, AGTR2 CA12 4627/4885CA1 3762/4885CA2 672/4885

“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.