SCHEMBL386719

SCHEMBL386719

CC(=O)N[C@](C)(CCc1ccc(CCCCCc2ccccc2)o1)COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CES1 P23141 2/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
FAAH O00519 3/20 0.36
THRB P10828 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL7618468 0.86 ALDH1A1 (0.43) NAAAPOLBALDH1A1RECQLTHRB
SCHEMBL386306 0.85 CXCR2 (0.38) NAAAMTNR1AMTNR1BPOLBALDH1A1
SCHEMBL7614876 0.85 ALDH1A1 (0.46) POLBALDH1A1RECQLTHRBTAAR1
SCHEMBL387233 0.82 DUT (0.36) NAAAPOLBALDH1A1RECQLTHRB
SCHEMBL386029 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL383768 0.79 GFER (0.32) ALDH1A1
SCHEMBL7616848 0.79 S1PR1 (0.47) FAAHTHRB
SCHEMBL7620688 0.79 S1PR1 (0.47) FAAHTHRB
SCHEMBL7623202 0.79 S1PR1 (0.47) FAAHTHRB
SCHEMBL385861 0.79 NPC1 (0.41) MTNR1AMTNR1BALDH1A1TAAR1

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 NAAA 2485/4885MTNR1A 1342/4885MTNR1B 1489/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 NAAA 1835/4885MTNR1A 776/4885MTNR1B 762/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB NAAA 2886/4885MTNR1A 652/4885MTNR1B 684/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 NAAA 2550/4885MTNR1A 860/4885MTNR1B 811/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A NAAA 830/4885MTNR1A 1799/4885MTNR1B 1186/4885

“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.