SCHEMBL2297293

SCHEMBL2297293

OCc1cc(F)ccc1OCC#Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.39
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
SLC1A5 Q15758 3/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.35
PPARD Q03181 3/20 0.35
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
LTB4R Q15722 1/20 0.33
CASR P41180 1/20 0.32

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
SCHEMBL2292463 0.88 SLC1A5 (0.37) EGLN1SLC1A5PTGDR2PPARDSLC6A4
SCHEMBL12384391 0.81 SLC1A5 (0.37) EGLN1SLC1A5PTGDR2PPARDSLC6A4
SCHEMBL2292183 0.81 EGLN1 (0.44) EGLN1SLC1A5PTGDR2HSD17B10
Bromide SCHEMBL2293888 0.80 SLC1A5 (0.38) EGLN1SLC1A5PTGDR2PPARDSLC6A4
SCHEMBL2294533 0.78 MRGPRX4 (0.42) EGLN1SLC1A5PPARDPPARGPPARA
SCHEMBL8233556 0.78 PPARD (0.51) PPARDSLC6A4MAOBPPARGPPARA
SCHEMBL2293313 0.75 PPARD (0.47) SCN8ASCN10APPARDPPARGPPARA
SCHEMBL2676421 0.74 PPARD (0.48) PPARDPPARGPPARACASR
SCHEMBL15261679 0.72 MAPT (0.42) PTGDR2MAOBMAPK1HSD17B10
SCHEMBL2294860 0.71 CASR (0.41) SCN8ASCN10APTGDR2SLC6A4CASR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
EP-1940811-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO 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 (1 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 EGLN1 718/4885SCN8A 1962/4885SCN10A 2297/4885

“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.