SCHEMBL387356

SCHEMBL387356

CC(C)(C)OC(=O)N[C@@](C)(C=O)CCc1ccc(C(=O)CCCCc2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.41
FAAH O00519 7/20 0.40
SIGMAR1 Q99720 3/20 0.38
DAGLA Q9Y4D2 1/20 0.37

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
SCHEMBL3185556 0.87 FAAH (0.39) CES1FAAH
SCHEMBL3185558 0.87 FAAH (0.39) CES1FAAH
SCHEMBL386667 0.86 CES1 (0.42) CES1FAAHSIGMAR1DAGLA
SCHEMBL385877 0.84 FAAH (0.37) CES1FAAHSIGMAR1
SCHEMBL387454 0.81 CES1 (0.38) CES1FAAHSIGMAR1DAGLA
SCHEMBL3205662 0.81 FAAH (0.41) CES1FAAHSIGMAR1DAGLA
SCHEMBL387455 0.81 CES1 (0.38) CES1FAAHSIGMAR1DAGLA
SCHEMBL3205672 0.81 FAAH (0.41) CES1FAAHSIGMAR1DAGLA
SCHEMBL386963 0.81 FAAH (0.36) CES1FAAHSIGMAR1DAGLA
SCHEMBL386686 0.79 S1PR1 (0.43) CES1FAAHSIGMAR1DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT CES1 762/4885FAAH 3010/4885SIGMAR1 687/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 CES1 524/4885FAAH 922/4885SIGMAR1 2017/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB CES1 834/4885FAAH 450/4885SIGMAR1 759/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 CES1 945/4885FAAH 486/4885SIGMAR1 1414/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A CES1 2087/4885FAAH 967/4885SIGMAR1 731/4885

“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.