SCHEMBL13675154

SCHEMBL13675154

CN1C(=O)C(NC(=O)C2(NC(=O)CCC3CCCC3)CCCC2)N=C(c2ccc(CF)cc2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.66
PSEN1 P49768 16/20 0.61
PSEN2 P49810 16/20 0.61
APH1B Q8WW43 16/20 0.61
NCSTN Q92542 16/20 0.61
APH1A Q96BI3 16/20 0.61
PSENEN Q9NZ42 16/20 0.61
CCKBR P32239 2/20 0.51
CCKAR P32238 1/20 0.51

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
SCHEMBL3595087 0.92 KCNH2 (0.78) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL13865657 0.92 KCNH2 (0.78) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3588136 0.92 PSEN1 (0.70) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL5370070 0.92 PSEN1 (0.70) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL13502683 0.91 KCNH2 (0.72) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3587719 0.89 PSEN1 (0.67) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL13675304 0.89 PSEN1 (0.58) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL13675241 0.89 PSEN1 (0.53) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL13675155 0.87 CCKBR (0.64) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL3588536 0.86 PSEN1 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-10-22 US disclosed
US-7390896-B2 Cyclic malonamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-06-24 US disclosed
US-20080021014-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-24 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-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 KCNH2 2256/4885PSEN1 6/4885PSEN2 9/4885
US-20080021014-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 KCNH2 2256/4885PSEN1 6/4885PSEN2 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.