SCHEMBL385682

SCHEMBL385682

Cc1ccc(OCC#Cc2ccc(CCC(C)(N)CO)o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
KCNH2 Q12809 1/20 0.35
ALOX5 P09917 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
WDR5 P61964 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
Oxalic Acid SCHEMBL386412 0.95 KDM4E (0.38) GRM5KCNH2EGLN1TRPM8
SCHEMBL384086 0.90 KCNH2 (0.39) GRM5KCNH2EGLN1
SCHEMBL386545 0.90 KCNH2 (0.39) GRM5KCNH2EGLN1
SCHEMBL5530328 0.88 RAB9A (0.39)
SCHEMBL385512 0.88 ALDH1A1 (0.34) EGLN1TRPM8
SCHEMBL383552 0.88 RAB9A (0.39)
SCHEMBL386413 0.86 GRM5 (0.34) GRM5KCNH2EGLN1TRPM8
Oxalic Acid SCHEMBL387197 0.86 ALDH1A1 (0.44) GRM5KCNH2ALOX5EGLN1
SCHEMBL387349 0.86 S1PR1 (0.45) GRM5KCNH2EGLN1
SCHEMBL384321 0.85 S1PR1 (0.46) GRM5

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 9 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-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 (4 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-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 GRM5 1666/4885KCNH2 732/4885ALOX5 251/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB GRM5 3327/4885KCNH2 1008/4885ALOX5 807/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 GRM5 2335/4885KCNH2 2283/4885ALOX5 437/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A GRM5 1585/4885KCNH2 1479/4885ALOX5 671/4885

“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.