SCHEMBL385473

SCHEMBL385473

Cn1c(CCCCCc2ccccc2)ccc1CC[C@@](C)(N)CO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.40
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
LTB4R Q15722 2/20 0.38
SPHK2 Q9NRA0 2/20 0.37
SIGMAR1 Q99720 6/20 0.37
MAOA P21397 1/20 0.37
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
SPHK1 Q9NYA1 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
SCHEMBL387206 1.00 TNNC1 (0.40) TNNC1S1PR1S1PR3S1PR5SGPL1
Oxalic Acid SCHEMBL5658166 0.95 S1PR1 (0.41) TNNC1S1PR1S1PR3S1PR5SGPL1
Oxalic Acid SCHEMBL5657249 0.94 S1PR1 (0.41) TNNC1S1PR1S1PR3S1PR5SGPL1
SCHEMBL384356 0.85 S1PR1 (0.36) TNNC1S1PR1S1PR3S1PR5SGPL1
SCHEMBL385716 0.85 TAAR1 (0.40) S1PR1S1PR3S1PR5
SCHEMBL384958 0.83 S1PR1 (0.56) S1PR1S1PR3S1PR5MAPTRXFP1
SCHEMBL385571 0.83 S1PR1 (0.56) S1PR1S1PR3S1PR5MAPTRXFP1
SCHEMBL5658171 0.83 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4LTB4R
SCHEMBL385279 0.83 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL386203 0.83 S1PR1 (0.41) TNNC1S1PR1S1PR3S1PR5SGPL1

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 TNNC1 4429/4885S1PR1 257/4885S1PR3 414/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 TNNC1 2864/4885S1PR1 159/4885S1PR3 194/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB TNNC1 3432/4885S1PR1 465/4885S1PR3 504/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 TNNC1 3188/4885S1PR1 70/4885S1PR3 89/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A TNNC1 4559/4885S1PR1 593/4885S1PR3 622/4885

“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.