SCHEMBL88863

SCHEMBL88863

COC(=O)[C@H]1C[C@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
HPGD P15428 1/20 0.46
PDE4B Q07343 2/20 0.46
BRD4 O60885 1/20 0.45
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL4667718 1.00 NR1H2 (0.51) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL55897 1.00 NR1H2 (0.51) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL13461241 1.00 NR1H2 (0.51) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL10283547 1.00 NR1H2 (0.51) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL30306795 1.00 NR1H2 (0.51) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL89018 1.00 NR1H2 (0.51) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL13461234 0.94 NR1H2 (0.47) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL7953060 0.94 NR1H2 (0.47) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL8301548 0.94 NR1H2 (0.47) NR1H2HPGDPDE4BBRD4EPHX1
SCHEMBL7865107 0.94 NR1H2 (0.47) NR1H2HPGDPDE4BBRD4EPHX1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 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 (2 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 NR1H2 1327/4885HPGD 723/4885PDE4B 904/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 NR1H2 3700/4885HPGD 435/4885PDE4B 334/4885

“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.