SCHEMBL7685573

SCHEMBL7685573

CC(C)C(O)C(=O)N[C@@H](C)C(=O)C1(N)N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.47
PSEN2 P49810 4/20 0.47
APH1B Q8WW43 4/20 0.47
NCSTN Q92542 4/20 0.47
APH1A Q96BI3 4/20 0.47
PSENEN Q9NZ42 4/20 0.47
CCKBR P32239 8/20 0.45
KCNH2 Q12809 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39

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
SCHEMBL6301946 0.87 CCKBR (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7687598 0.86 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4988508 0.83 CCKBR (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30934892 0.83 CCKBR (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4414767 0.83 CCKBR (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7687284 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4982216 0.79 NOTCH1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7701029 0.78 KCNH2 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4411435 0.76 CCKBR (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5521900 0.75 CCKBR (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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-20020111343-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-Amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-08-15 US claimed

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-20020111343-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-Amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 PSEN1 6/4885PSEN2 9/4885APH1B 4/4885

“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.