SCHEMBL89564

SCHEMBL89564

COCCCN1C(=O)COc2ccc(NC3CC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
REN P00797 1/20 0.51
POLB P06746 5/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKCQ Q04759 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM1 P11229 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL89019 0.97 TSHR (0.56) TSHRRENPOLBTP53MAPT
SCHEMBL89692 0.93 TSHR (0.54) TSHRRENPOLBTP53THRB
SCHEMBL10185293 0.87 POLB (0.47) TSHRPOLBTP53MAPTTHRB
SCHEMBL8265645 0.85 POLB (0.46) TSHRPOLBMEN1KMT2APRKCQ
SCHEMBL56258 0.84 TSHR (0.57) TSHRRENPOLBTP53MAPT
SCHEMBL10184668 0.82 POLB (0.52) TSHRPOLBTP53MAPTTHRB
SCHEMBL90462 0.81 REN (0.51) TSHRRENPOLBMEN1KMT2A
SCHEMBL1047741 0.80 REN (0.57) TSHRRENPOLBTP53MAPT
SCHEMBL89401 0.80 TSHR (0.71) TSHRRENPOLBTP53MAPT
SCHEMBL8255122 0.80 REN (0.40) TSHRRENPOLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
EP-1858849-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2007-11-28 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006094763-A1 3,4,5-SUBSTITUTED PIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2006-09-14 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885REN 1/4885POLB 589/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC TSHR 2757/4885REN 1/4885POLB 663/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 TSHR 1818/4885REN 1/4885POLB 1191/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TSHR 3249/4885REN 1/4885POLB 277/4885

“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.