SCHEMBL787654

SCHEMBL787654

CC=C(C)C(=O)N1CCOC1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 10/20 0.44
NOTUM Q6P988 2/20 0.38
FAAH O00519 4/20 0.36
PIK3CD O00329 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
SCHEMBL787653 1.00 NAAA (0.44) NAAANOTUMFAAHPIK3CD
SCHEMBL631172 0.78 NAAA (0.45) NAAANOTUMFAAHPIK3CD
SCHEMBL18912911 0.78 NAAA (0.45) NAAANOTUMFAAHPIK3CD
SCHEMBL1027659 0.77
SCHEMBL11449421 0.75 NAAA (0.44) NAAAFAAH
SCHEMBL15537754 0.74 NAAA (0.41) NAAANOTUMFAAH
SCHEMBL11447863 0.74 NAAA (0.43) NAAAFAAH
SCHEMBL4806256 0.73 NAAA (0.44) NAAANOTUMFAAHPIK3CD
SCHEMBL4806247 0.73 NAAA (0.44) NAAANOTUMFAAHPIK3CD
SCHEMBL7569177 0.72 NAAA (0.48) NAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NDSU RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-8034974-B2 Beta-amino acids and methods intermediates for making same NDSU RESEARCH FOUNDATION (US) 2011-10-11 US disclosed
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NORTH DAKOTA STATE UNIVERSITY 2011-09-08 US 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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO NAAA 202/4885NOTUM 171/4885FAAH 819/4885
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO NAAA 202/4885NOTUM 171/4885FAAH 819/4885

“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.