SCHEMBL387233

SCHEMBL387233

CC(=O)N[C@](C)(CCc1ccc(CCCCCc2ccccc2)n1C)COC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NAAA Q02083 3/20 0.35
OGA O60502 2/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HDAC1 Q13547 2/20 0.34
ALOX5 P09917 1/20 0.34
HDAC2 Q92769 1/20 0.34
FKBP1A P62942 1/20 0.34

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
SCHEMBL384555 0.85 CXCR2 (0.38) DUTPOLBALDH1A1RECQLTHRB
SCHEMBL7618468 0.85 ALDH1A1 (0.43) POLBALDH1A1RECQLTHRBTAAR1
SCHEMBL7614876 0.84 ALDH1A1 (0.46) POLBALDH1A1RECQLTHRBTAAR1
SCHEMBL386719 0.82 NAAA (0.38) POLBALDH1A1RECQLTHRBTAAR1
SCHEMBL386711 0.80
SCHEMBL7623202 0.78 S1PR1 (0.47) THRB
SCHEMBL7620688 0.78 S1PR1 (0.47) THRB
SCHEMBL7616848 0.78 S1PR1 (0.47) THRB
SCHEMBL7621704 0.77 GRM2 (0.37) POLBALDH1A1RECQLTHRBTAAR1
SCHEMBL7622676 0.76 TNNC1 (0.44) ALDH1A1THRBMAPT

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 DUT 3633/4885POLB 2164/4885ALDH1A1 945/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 DUT 4397/4885POLB 4236/4885ALDH1A1 2821/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB DUT 4270/4885POLB 2273/4885ALDH1A1 582/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 DUT 4155/4885POLB 1738/4885ALDH1A1 1443/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A DUT 2405/4885POLB 1476/4885ALDH1A1 898/4885

“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.