SCHEMBL5165316

SCHEMBL5165316

CC(N)(CO)CCc1ccc(C#CCCOc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.35
FAAH O00519 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 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
SCHEMBL5166980 0.91 DPP4 (0.34)
SCHEMBL5167592 0.90 MAOB (0.39) L3MBTL1MAOBAOC3LMNAPKM
SCHEMBL5166177 0.89 DPP4 (0.34) LMNA
SCHEMBL5168257 0.88 PPARA (0.35) MAOBAOC3ALDH1A1KMT2A
SCHEMBL5166351 0.87 NPSR1 (0.36) L3MBTL1LMNAKDM4EALDH1A1
SCHEMBL5168510 0.87 DPP4 (0.34) L3MBTL1LMNAHSD17B10ALDH1A1KMT2A
SCHEMBL387230 0.87 S1PR1 (0.41) L3MBTL1MAOBAOC3LMNAPKM
SCHEMBL5167997 0.87 KCNH2 (0.36) MAOBAOC3LMNAPKMKDM4E
SCHEMBL5167788 0.86 DPP4 (0.37) ALDH1A1
SCHEMBL5167266 0.86 DPP4 (0.33)

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 L3MBTL1 1321/4885MAOB 1891/4885AOC3 702/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A L3MBTL1 1321/4885MAOB 1891/4885AOC3 702/4885

“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.