SCHEMBL3466629

SCHEMBL3466629

CC(C)(CO)CC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.46
HSD11B2 P80365 1/20 0.37
BRD4 O60885 1/20 0.36
NR1H2 P55055 1/20 0.34
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 2/20 0.30
CRBN Q96SW2 2/20 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
SCHEMBL3466633 1.00 SPHK1 (0.46) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL3614794 0.87 SPHK1 (0.45) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL3467057 0.87 SPHK1 (0.45) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL3614792 0.87 SPHK1 (0.45) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL3467056 0.87 SPHK1 (0.45) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1859100 0.86 SPHK1 (0.48) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1859101 0.86 SPHK1 (0.48) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1526136 0.86 SPHK1 (0.50) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1067809 0.86 SPHK1 (0.50) SPHK1HSD11B2BRD4NR1H2HCRTR2
SCHEMBL1067807 0.86 SPHK1 (0.50) SPHK1HSD11B2BRD4NR1H2HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-7767690-B2 Amino alcohol derivatives and their use as renin inhibitor NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor NOVARTIS AG (CH) 2009-05-07 US disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
EP-1711456-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-10-18 EP disclosed
WO-2005070870-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 SPHK1 1780/4885HSD11B2 1404/4885BRD4 2123/4885
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A SPHK1 3516/4885HSD11B2 825/4885BRD4 956/4885

“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.