SCHEMBL7701029

SCHEMBL7701029

C[C@H](NC(=O)CCCC1CCCCC1)C(=O)C1(N)N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
PSEN1 P49768 4/20 0.43
PSEN2 P49810 4/20 0.43
APH1B Q8WW43 4/20 0.43
NCSTN Q92542 4/20 0.43
APH1A Q96BI3 4/20 0.43
PSENEN Q9NZ42 4/20 0.43
OXTR P30559 1/20 0.43
CCKBR P32239 2/20 0.41
CCKAR P32238 1/20 0.41
HDAC3 O15379 8/20 0.41
HDAC1 Q13547 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC4 P56524 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41

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
SCHEMBL7686333 0.78 KCNH2 (0.73) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL4424568 0.78 KCNH2 (0.73) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL6301946 0.78 CCKBR (0.46) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7685573 0.78 PSEN1 (0.47) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL5521900 0.76 CCKBR (0.42) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7597101 0.75 KCNH2 (0.41) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL4414767 0.75 CCKBR (0.47) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL30934892 0.75 CCKBR (0.47) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL8608852 0.74 KCNH2 (0.89) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7482918 0.73 KCNH2 (0.39) KCNH2PSEN1PSEN2APH1BNCSTN

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-20020052359-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-05-02 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-20020052359-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 KCNH2 4519/4885PSEN1 7/4885PSEN2 9/4885

“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.