SCHEMBL384086

SCHEMBL384086

C[C@](N)(CO)CCc1ccc(C#CCOc2ccc(Cl)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 3/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
KDM4E B2RXH2 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
MAP4K4 O95819 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
SCHEMBL386545 1.00 KCNH2 (0.39) KCNH2GRM5ALDH1A1MEN1RAB9A
Oxalic Acid SCHEMBL387197 0.95 ALDH1A1 (0.44) KCNH2GRM5ALDH1A1MEN1RAB9A
SCHEMBL385682 0.90 GRM5 (0.37) KCNH2GRM5EGLN1
SCHEMBL385512 0.87 ALDH1A1 (0.34) ALDH1A1RAB9AEGLN1
SCHEMBL387198 0.87 ALDH1A1 (0.37) KCNH2GRM5ALDH1A1MEN1RAB9A
SCHEMBL385562 0.86 S1PR1 (0.45) KCNH2GRM5ALDH1A1MEN1RAB9A
Oxalic Acid SCHEMBL386412 0.85 KDM4E (0.38) KCNH2GRM5ALDH1A1MEN1RAB9A
SCHEMBL5530328 0.85 RAB9A (0.39) ALDH1A1MEN1RAB9AKMT2ATDP1
SCHEMBL383552 0.85 RAB9A (0.39) ALDH1A1MEN1RAB9AKMT2ATDP1
SCHEMBL386064 0.85 S1PR1 (0.46) KCNH2GRM5ALDH1A1MEN1RAB9A

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 KCNH2 3474/4885GRM5 2066/4885ALDH1A1 945/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 KCNH2 732/4885GRM5 1666/4885ALDH1A1 2821/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB KCNH2 1008/4885GRM5 3327/4885ALDH1A1 582/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 KCNH2 2283/4885GRM5 2335/4885ALDH1A1 1443/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A KCNH2 1479/4885GRM5 1585/4885ALDH1A1 898/4885

“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.