SCHEMBL5023023

SCHEMBL5023023

CC(C(=O)NCc1cc(F)ccc1F)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 6/20 0.66
▸ PSEN1 P49768 4/20 0.61
▸ PSEN2 P49810 4/20 0.61
▸ APH1B Q8WW43 4/20 0.61
▸ NCSTN Q92542 4/20 0.61
▸ APH1A Q96BI3 4/20 0.61
▸ PSENEN Q9NZ42 4/20 0.61
▸ GSAP A4D1B5 1/20 0.61
▸ NOTCH1 P46531 3/20 0.58
▸ NOTCH3 Q9UM47 3/20 0.58
▸ SCN9A Q15858 2/20 0.58
▸ KCNH2 Q12809 1/20 0.57

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
SCHEMBL5016397 0.91 CCKBR (0.65) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL5016293 0.88 CCKBR (0.69) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL5022594 0.87 PSEN1 (0.66) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL5016371 0.87 PSEN1 (0.73) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL4991958 0.87 PSEN1 (0.78) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL5016379 0.85 CCKBR (0.78) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL5026491 0.84 CCKBR (0.67) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL5018003 0.83 CCKBR (0.69) CCKBRSCN9AKCNH2
SCHEMBL4992875 0.82 PSEN1 (0.78) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL5026356 0.82 CCKBR (0.70) CCKBRPSEN1PSEN2APH1BNCSTN

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
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 — — EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 — — US disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 — — 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-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP CCKBR 916/4885PSEN1 4/4885PSEN2 8/4885

“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.

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