SCHEMBL2339596

SCHEMBL2339596

COCCCN1C(=O)COc2ccc(CO)cc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
REN P00797 1/20 0.54
POLB P06746 4/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.48
THRB P10828 2/20 0.46
MAPT P10636 2/20 0.46
KMO O15229 1/20 0.46
HTT P42858 1/20 0.44
SMPD1 P17405 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL927855 0.89 REN (0.55) TSHRRENPOLBTP53KDM4E
SCHEMBL1015445 0.88 TSHR (0.56) TSHRRENPOLBTP53KDM4E
SCHEMBL1047741 0.84 REN (0.57) TSHRRENPOLBTP53KDM4E
SCHEMBL89401 0.84 TSHR (0.71) TSHRRENPOLBTP53THRB
SCHEMBL6508989 0.83 REN (0.56) TSHRRENPOLBTP53KDM4E
SCHEMBL55503 0.83 REN (0.61) TSHRRENPOLBTP53KDM4E
SCHEMBL6721804 0.83 REN (0.56) TSHRRENPOLBTP53KDM4E
SCHEMBL3065160 0.82 REN (0.55) TSHRRENPOLBTP53KDM4E
SCHEMBL3074822 0.82 POLB (0.45) TSHRRENPOLBTP53MAPT
SCHEMBL3065833 0.81 TSHR (0.54) TSHRRENPOLBTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
EP-1776359-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed
EP-1863802-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-16 EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-12-10 US disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
EP-1776359-A2 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-04-25 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
WO-2006103273-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2006005741-A2 PIPERDINE DERIVATIVES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 WO disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (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-20090306064-A1 Substituted Piperidines as Renin Inhibitors REN, AGTR1, ACE TSHR 824/4885REN 1/4885POLB 2956/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ TSHR 4539/4885REN 119/4885POLB 1719/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885REN 1/4885POLB 1031/4885
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 TSHR 3778/4885REN 1/4885POLB 2005/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 TSHR 1153/4885REN 1/4885POLB 2849/4885

“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.