SCHEMBL387575

SCHEMBL387575

[C]#CC(CCCCC)NCC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
LMNA P02545 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
DNM1 Q05193 2/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
FDPS P14324 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
SCHEMBL386813 0.80 OPRM1 (0.36) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL15284068 0.77 LMNA (0.35) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL15284070 0.77 LMNA (0.35) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL16649197 0.69 OPRM1 (0.42) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL5611834 0.69 OPRM1 (0.42) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL23519562 0.67 ADH1B (0.50) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL2328457 0.67 LMNA (0.42) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL2338635 0.67 LMNA (0.42) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL9852681 0.67 LMNA (0.42) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL2401995 0.67 ADH1B (0.50) OPRM1LMNAADH1BADH1CADH1A

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-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
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 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
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (7 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A OPRM1 163/4885LMNA 3703/4885ADH1B 427/4885
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT OPRM1 575/4885LMNA 4143/4885ADH1B 634/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A OPRM1 163/4885LMNA 3703/4885ADH1B 427/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 OPRM1 3794/4885LMNA 3060/4885ADH1B 2396/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB OPRM1 938/4885LMNA 1187/4885ADH1B 380/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 OPRM1 2353/4885LMNA 2699/4885ADH1B 1298/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A OPRM1 753/4885LMNA 1759/4885ADH1B 626/4885

“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.