SCHEMBL2326704

SCHEMBL2326704

COC(=O)CCC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.45
HSD11B2 P80365 1/20 0.39
BRD4 O60885 1/20 0.37
HCRTR2 O43614 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NR1H2 P55055 1/20 0.30
EPHX2 P34913 1/20 0.30
TSHR P16473 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
SCHEMBL2326706 1.00 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL6918603 1.00 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL30484737 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL13964493 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL8445237 0.88 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL14357932 0.88 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL14489664 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL2328925 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1863729 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1863728 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580823-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8580823-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-2074108-B3 RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
EP-2581366-A1 Renin Inhibitors Vitae Pharmaceuticals, Inc. (US) 2013-04-17 EP disclosed
EP-2074108-B1 RENIN INHIBITORS VITAE PHARMACEUTICALS INC (US) 2012-11-21 EP disclosed
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2012-09-06 US disclosed
US-20120225906-A1 PIPERIDINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2012-09-06 US disclosed
US-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 US disclosed
US-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 US disclosed
US-20090312369-A1 Renin Inhibitors VITAE PHARMACEUTICALS , INC. 2009-12-17 US disclosed
EP-2081927-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
EP-2074108-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2008036247-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
WO-2008036216-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 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-20120225906-A1 PIPERIDINE RENIN INHIBITORS ACE, PEPD, DNPEP SPHK1 798/4885HSD11B2 2068/4885BRD4 1079/4885
US-20090312369-A1 Renin Inhibitors ACE, REN, DNPEP SPHK1 2172/4885HSD11B2 432/4885BRD4 2248/4885

“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.