SCHEMBL6718778

SCHEMBL6718778

Cc1cccc(C)c1NC(=O)[C@H](N)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.57
AAK1 Q2M2I8 3/20 0.50
ATM Q13315 2/20 0.50
LARS1 Q9P2J5 3/20 0.49
HSP90AA1 P07900 1/20 0.47
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
CIT O14578 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL6717081 1.00 ANPEP (0.57) ANPEPAAK1ATMLARS1HSP90AA1
SCHEMBL7853958 0.83 ATM (0.49) ANPEPATMHSP90AA1MEN1CYP1A2
SCHEMBL6719511 0.83 ANPEP (0.59) ANPEPAAK1LARS1MEN1KMT2A
S-Tocainide SCHEMBL308742 0.81 ATM (0.57) ANPEPATMHSP90AA1MEN1CYP1A2
Tocainide SCHEMBL15761 0.81 ATM (0.57) ANPEPATMHSP90AA1MEN1CYP1A2
Tocainide SCHEMBL122779 0.80 ATM (0.55) ANPEPATMHSP90AA1MEN1CYP1A2
Tocainide SCHEMBL9614374 0.80 ATM (0.55) ANPEPATMHSP90AA1MEN1CYP1A2
SCHEMBL11436632 0.78 ATM (0.54) ANPEPATMHSP90AA1MEN1CYP1A2
Tocainide SCHEMBL4338155 0.78 ATM (0.54) ANPEPATMHSP90AA1MEN1CYP1A2
SCHEMBL26464135 0.77 AAK1 (0.53) AAK1MEN1KMT2ACIT

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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 ANPEP 522/4885AAK1 1409/4885ATM 3390/4885

“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.