SCHEMBL386641

SCHEMBL386641

C[C@@](N)(CCc1ccc(C#CCCCc2cccc(C(F)(F)F)c2)o1)COC(=O)C(=O)OC[C@](C)(N)CCc1ccc(C#CCCCc2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
EPHX1 P07099 6/20 0.35
NR3C2 P08235 1/20 0.35
ALOX5 P09917 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL385583 0.88 S1PR1 (0.38) HTR2BGRM2GRM3HDAC1HDAC8
SCHEMBL387731 0.87 HTR2B (0.38) HTR2BGRM2GRM3HDAC1HDAC8
SCHEMBL386564 0.87 CXCR2 (0.37) GRM2GRM3ALDH1A1FFAR4
Oxalic Acid SCHEMBL386640 0.87 GRM2 (0.40) HTR2BGRM2GRM3HDAC1HDAC8
SCHEMBL386037 0.84 KDM4E (0.40) KMT2AALDH1A1KDM4EMEN1
SCHEMBL386328 0.84 ACP3 (0.39) HTR2BGRM2GRM3HDAC1HDAC8
SCHEMBL387857 0.82 FFAR1 (0.36) GRM2GRM3ALOX5KMT2AMAPT
SCHEMBL387033 0.82 POLB (0.36) HTR2BALOX5MAPTALDH1A1GAA
SCHEMBL383604 0.76 S1PR4 (0.32)
SCHEMBL387638 0.76 PPARG (0.35) HDAC1HDAC8KMT2AALDH1A1KDM4E

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 HTR2B 3103/4885GRM2 1651/4885GRM3 1723/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 HTR2B 2165/4885GRM2 912/4885GRM3 653/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB HTR2B 1699/4885GRM2 2543/4885GRM3 2642/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 HTR2B 3095/4885GRM2 1656/4885GRM3 1776/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A HTR2B 1305/4885GRM2 891/4885GRM3 1326/4885

“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.