SCHEMBL56313

SCHEMBL56313

c1ccc2c(c1)NCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 1/20 0.42
GRM5 P41594 3/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALOX5 P09917 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL8942627 1.00 GAA (0.55) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL871099 1.00 GAA (0.55) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL88894 1.00 GAA (0.55) GAAALDH1A1MAPTHSD17B10ITGB2
Hydrochloric Acid SCHEMBL27373511 0.98 GAA (0.53) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL6046277 0.96 ITGB2 (0.58) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL8521592 0.88 SMN1; SMN2 (0.59) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL2316918 0.88 SMN1; SMN2 (0.59) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL15479701 0.88 SMN1; SMN2 (0.59) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL2315177 0.88 SMN1; SMN2 (0.59) GAAALDH1A1MAPTHSD17B10ITGB2
SCHEMBL16738555 0.87 GAA (0.45) GAAALDH1A1MAPTHSD17B10ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US claimed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US claimed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US claimed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US claimed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP claimed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US claimed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US claimed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP claimed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US claimed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP claimed
EP-1841740-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES Novartis AG (CH) 2007-10-10 EP claimed
EP-1833816-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2007-09-19 EP claimed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO claimed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO claimed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO claimed
US-5286881-A Reacting substituted hydroxy benzofuranone with acetonitrile compound in presence of acid catalyst, oxidizing SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-02-15 US claimed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (4 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE GAA 867/4885ALDH1A1 412/4885MAPT 1266/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC GAA 106/4885ALDH1A1 21/4885MAPT 1212/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO GAA 78/4885ALDH1A1 36/4885MAPT 1109/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 GAA 139/4885ALDH1A1 231/4885MAPT 1706/4885

“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.