SCHEMBL13675155

SCHEMBL13675155

CN1C(=O)C(NC(=O)C2(NC(=O)C3CCCCC3)CCCC2)N=C(c2ccc(CF)cc2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.64
CCKAR P32238 1/20 0.64
PSEN1 P49768 15/20 0.56
PSEN2 P49810 15/20 0.56
APH1B Q8WW43 15/20 0.56
NCSTN Q92542 15/20 0.56
APH1A Q96BI3 15/20 0.56
PSENEN Q9NZ42 15/20 0.56
KCNH2 Q12809 1/20 0.53

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
SCHEMBL13502678 0.90 PSEN1 (0.66) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL13502737 0.88 PSEN1 (0.58) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL13675154 0.87 KCNH2 (0.66) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL13502736 0.85 PSEN1 (0.57) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL13869684 0.84 SCN9A (0.58) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL13675241 0.84 PSEN1 (0.53) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL13675304 0.84 PSEN1 (0.58) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL13547426 0.84 PSEN1 (0.54) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL13502739 0.84 PSEN1 (0.58) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL13869423 0.83 PSEN1 (0.60) CCKBRCCKARPSEN1PSEN2APH1B

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-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-10-22 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-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 CCKBR 2226/4885CCKAR 3230/4885PSEN1 6/4885

“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.