SCHEMBL386413

SCHEMBL386413

Cc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)COC(=O)C(=O)OC[C@](C)(N)CCc3ccc(C#CCOc4ccc(C)cc4)o3)o2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
KCNH2 Q12809 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 4/20 0.31
S1PR4 O95977 4/20 0.31
PPARA Q07869 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
POLB P06746 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
SCHEMBL387198 0.91 ALDH1A1 (0.37) GRM5EGLN1KCNH2NPC1RAB9A
SCHEMBL387496 0.89 MAPT (0.40) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL385682 0.86 GRM5 (0.37) GRM5EGLN1KCNH2TRPM8
SCHEMBL384321 0.86 S1PR1 (0.46) GRM5S1PR1S1PR3S1PR5S1PR4
Oxalic Acid SCHEMBL386412 0.86 KDM4E (0.38) GRM5EGLN1KCNH2TRPM8NPC1
SCHEMBL387320 0.86 MEN1 (0.32) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL387349 0.83 S1PR1 (0.45) GRM5EGLN1KCNH2NPC1RAB9A
SCHEMBL386037 0.82 KDM4E (0.40) EGLN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL387638 0.81 PPARG (0.35) NPC1RAB9AALDH1A1KDM4ES1PR1
SCHEMBL386064 0.78 S1PR1 (0.46) GRM5EGLN1KCNH2RAB9AALDH1A1

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 GRM5 2066/4885EGLN1 975/4885KCNH2 3474/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 GRM5 1666/4885EGLN1 698/4885KCNH2 732/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB GRM5 3327/4885EGLN1 1057/4885KCNH2 1008/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 GRM5 2335/4885EGLN1 2269/4885KCNH2 2283/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A GRM5 1585/4885EGLN1 1964/4885KCNH2 1479/4885

“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.