SCHEMBL22649182

SCHEMBL22649182

CC(C)C(=O)C(C)NC(=O)n1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.51
GAA P10253 10/20 0.49
MGAM O43451 9/20 0.49
AMY1A P0DUB6 9/20 0.49
SI P14410 9/20 0.49
MGAM2 Q2M2H8 9/20 0.49
KMT2A Q03164 3/20 0.49
F2 P00734 2/20 0.49
HPGD P15428 1/20 0.49
SLC9A1 P19634 1/20 0.49
DGAT1 O75907 1/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
FAAH O00519 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KCNMA1 Q12791 1/20 0.46
F12 P00748 4/20 0.45
MIF P14174 1/20 0.45

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
SCHEMBL22101596 0.85 ASAH1 (0.56) ASAH1GAAMGAMAMY1ASI
SCHEMBL12648519 0.81 FAAH (0.53) ASAH1GAAMGAMAMY1ASI
SCHEMBL12648230 0.81 FAAH (0.53) ASAH1GAAMGAMAMY1ASI
SCHEMBL20928041 0.80 ASAH1 (0.53) ASAH1GAAMGAMAMY1ASI
SCHEMBL20156704 0.77 ASAH1 (0.51) ASAH1GAAMGAMAMY1ASI
SCHEMBL15761538 0.77 FAAH (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL17875212 0.77 ASAH1 (0.59) ASAH1GAAMGAMAMY1ASI
SCHEMBL9419551 0.74 MGAM (0.58) ASAH1GAAMGAMAMY1ASI
SCHEMBL20150832 0.74 ASAH1 (0.71) ASAH1GAAMGAMAMY1ASI
SCHEMBL20664729 0.74 ASAH1 (0.56) ASAH1GAAMGAMAMY1ASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 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 (1 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP ASAH1 812/4885GAA 685/4885MGAM 1121/4885

“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.