SCHEMBL386925

SCHEMBL386925

CC(N)(CO)CCc1ccc(C#CCCCc2ccccc2)o1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
CXCR2 P25025 1/20 0.36
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.35
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TNNC1 P63316 5/20 0.31
S1PR1 P21453 2/20 0.31
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL386628 1.00 GRM5 (0.38) GRM5CXCR2POLBRECQLGRM2
Oxalic Acid SCHEMBL386563 0.96 CXCR2 (0.38) GRM5CXCR2POLBRECQLGRM2
Oxalic Acid SCHEMBL387856 0.90 FFAR1 (0.38) GRM5CXCR2POLBRECQLGRM2
SCHEMBL386923 0.89 POLB (0.35) POLBRECQLALDH1A1TNNC1S1PR1
Oxalic Acid SCHEMBL387032 0.86 POLB (0.36) CXCR2POLBRECQLALDH1A1HTT
SCHEMBL387731 0.85 HTR2B (0.38) GRM2GRM3
SCHEMBL383514 0.85 S1PR4 (0.42) GRM5CXCR2POLBRECQLS1PR1
SCHEMBL386564 0.85 CXCR2 (0.37) GRM5CXCR2POLBRECQLGRM2
Oxalic Acid SCHEMBL386640 0.84 GRM2 (0.40) GRM2GRM3S1PR1S1PR5
SCHEMBL385366 0.83 S1PR1 (0.45) S1PR1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US claimed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US claimed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US claimed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US claimed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP claimed
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 GRM5 2066/4885CXCR2 2098/4885POLB 2164/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 GRM5 1666/4885CXCR2 129/4885POLB 4236/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB GRM5 3327/4885CXCR2 290/4885POLB 2273/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 GRM5 2335/4885CXCR2 489/4885POLB 1738/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A GRM5 1585/4885CXCR2 2314/4885POLB 1476/4885

“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.