SCHEMBL384786

SCHEMBL384786

CC(=O)N[C@](C)(CCc1cccn1C)COC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2C19 P33261 4/20 0.35
CYP1A2 P05177 3/20 0.35
RECQL P46063 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAPT P10636 5/20 0.34
NPC1 O15118 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD11B1 P28845 2/20 0.33
CYP3A4 P08684 3/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 2/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4023734 0.91 ALDH1A1 (0.31) RAB9AALDH1A1SMN1; SMN2CYP2C19CYP1A2
SCHEMBL387516 0.85 TAAR1 (0.32) ALDH1A1SMN1; SMN2RECQLMAPTLMNA
SCHEMBL1453846 0.83 NPC1 (0.34) RAB9AALDH1A1SMN1; SMN2CYP2C19CYP1A2
SCHEMBL386711 0.79
SCHEMBL4022801 0.78
SCHEMBL7614876 0.78 ALDH1A1 (0.46) RAB9AALDH1A1SMN1; SMN2RECQLMAPT
SCHEMBL387233 0.76 DUT (0.36) ALDH1A1RECQLMAPTPOLB
SCHEMBL384607 0.73 ALDH1A1 (0.51) RAB9AALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL10168084 0.73 MEN1 (0.39) RAB9ACYP2C19CYP2C9MAPTNPC1
SCHEMBL383768 0.72 GFER (0.32) ALDH1A1KMT2A

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 14 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-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 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-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 US 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
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 EP 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 (6 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 RAB9A 1886/4885ALDH1A1 945/4885SMN1; SMN2 4443/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 RAB9A 2460/4885ALDH1A1 2821/4885SMN1; SMN2 2758/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB RAB9A 2503/4885ALDH1A1 582/4885SMN1; SMN2 3687/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 RAB9A 1873/4885ALDH1A1 1443/4885SMN1; SMN2 4596/4885
US-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 RAB9A 2295/4885ALDH1A1 62/4885SMN1; SMN2 1845/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A RAB9A 919/4885ALDH1A1 898/4885SMN1; SMN2 4797/4885

“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.