SCHEMBL5167864

SCHEMBL5167864

CC(=O)c1cccc(OCCC#Cc2ccc(CCC(C)(N)CO)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.37
DPP4 P27487 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
MAOA P21397 4/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL385441 0.91 MAOB (0.38) MAOBKMT2AMEN1MAOASMN1; SMN2
SCHEMBL5168920 0.89 L3MBTL1 (0.40) MAOBDPP4ALDH1A1
SCHEMBL383772 0.88 S1PR1 (0.41) MAOBKMT2AMEN1MAOAALDH1A1
SCHEMBL5166351 0.87 NPSR1 (0.36) DPP4ALDH1A1SMN1; SMN2
SCHEMBL5168510 0.87 DPP4 (0.34) DPP4KMT2AALDH1A1SMN1; SMN2
SCHEMBL5166177 0.86 DPP4 (0.34) DPP4
SCHEMBL5167997 0.86 KCNH2 (0.36) MAOBDPP4KMT2ASMN1; SMN2
SCHEMBL5167788 0.85 DPP4 (0.37) DPP4ALDH1A1
SCHEMBL5165316 0.84 L3MBTL1 (0.38) MAOBKMT2AALDH1A1
SCHEMBL5168710 0.84 DPP4 (0.33) DPP4SMN1; SMN2

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 1891/4885DPP4 4088/4885KMT2A 1760/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MAOB 1891/4885DPP4 4088/4885KMT2A 1760/4885

“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.