SCHEMBL5167592

SCHEMBL5167592

CC(N)(CO)CCc1ccc(C#CCOc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALOX5 P09917 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
BTK Q06187 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5168802 0.91 GRM5 (0.33)
SCHEMBL5165316 0.90 L3MBTL1 (0.38) MAOBAOC3LMNAPKMHSD17B10
SCHEMBL5165262 0.88 EGLN1 (0.35) EGLN1LMNAALOX5MRGPRX4
SCHEMBL6768936 0.87 GRM5 (0.35) EGLN1KDM4EALOX5
SCHEMBL383997 0.87 ALOX5 (0.37) EGLN1ALOX5
SCHEMBL386989 0.87 GRM5 (0.45) MAOBEGLN1LMNAKDM4EBTK
SCHEMBL385776 0.86 EGLN1 (0.40) MAOBAOC3EGLN1LMNAPKM
SCHEMBL5166665 0.86 GRM5 (0.46) MAOBAOC3EGLN1PKMKDM4E
SCHEMBL5168915 0.85 KCNH2 (0.39) KDM4EALOX5
SCHEMBL385441 0.83 MAOB (0.38) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 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 (2 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 MAOB 1891/4885AOC3 702/4885EGLN1 1053/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MAOB 1891/4885AOC3 702/4885EGLN1 1053/4885

“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.