SCHEMBL4664384

SCHEMBL4664384

O=C1CC[C@@H](COC(=O)ON2C(=O)CCC2=O)N1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
IRAK4 Q9NWZ3 14/20 0.33
GAA P10253 1/20 0.33
PDK2 Q15119 3/20 0.32
IRAK1 P51617 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
SCHEMBL9994585 0.84 MGLL (0.41) MGLLIRAK4GAAPDK2IRAK1
SCHEMBL1799985 0.78 MGLL (0.34) MGLL
SCHEMBL12757786 0.77 CTH (0.31)
SCHEMBL13345964 0.77 CTH (0.31)
SCHEMBL9994588 0.76 MGLL (0.40) MGLLIRAK4GAAPDK2IRAK1
SCHEMBL13195396 0.75 LMNA (0.37) MGLL
SCHEMBL1796877 0.75 LMNA (0.40) MGLL
SCHEMBL23725735 0.74 IRAK4 (0.42) MGLLIRAK4IRAK1
SCHEMBL21274152 0.74 IRAK4 (0.42) MGLLIRAK4IRAK1
SCHEMBL2355265 0.74 CCNE1 (0.30)

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-1395551-B1 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES ELAN PHARM INC (US) 2008-05-21 EP disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US disclosed
EP-1395551-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US disclosed
WO-2002098849-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES ELAN PHARMACEUTICALS, INC. (US) 2002-12-12 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 (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-20030166717-A1 Hydroxy alkyl amines PSEN1, MAOA, PSEN2 MGLL 2824/4885IRAK4 4593/4885GAA 217/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 MGLL 2173/4885IRAK4 4717/4885GAA 171/4885

“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.