SCHEMBL13934382

SCHEMBL13934382

CCC[C@H](C(N)=O)C(CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3cccc(OC)c3)c2)C1=O

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 15/20 0.84
▸ PSEN1 P49768 2/20 0.76
▸ PSEN2 P49810 2/20 0.76
▸ APH1B Q8WW43 2/20 0.76
▸ NCSTN Q92542 2/20 0.76
▸ APH1A Q96BI3 2/20 0.76
▸ PSENEN Q9NZ42 2/20 0.76
▸ MMP1 P03956 4/20 0.68
▸ MMP2 P08253 1/20 0.68
▸ MMP7 P09237 1/20 0.68
▸ MMP10 P09238 1/20 0.68
▸ MMP9 P14780 1/20 0.68
▸ MMP13 P45452 1/20 0.68
▸ MMP14 P50281 1/20 0.68
▸ ADAM17 P78536 1/20 0.68
▸ MMP3 P08254 3/20 0.53
▸ SRC P12931 1/20 0.52

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
SCHEMBL4497047 1.00 APP (0.84) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13934741 0.95 APP (0.82) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4479419 0.95 APP (0.82) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13934574 0.95 APP (0.82) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13934640 0.93 APP (0.79) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4483193 0.93 APP (0.79) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4488173 0.91 APP (0.75) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4478859 0.90 APP (0.75) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13934746 0.90 APP (0.75) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4488557 0.90 PSEN1 (0.78) APPPSEN1PSEN2APH1BNCSTN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507815-B2 Succinoylamino lactams as inhibitors of a-β protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-24 — — US disclosed
US-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-27 — — 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-20080293692-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BACE1, APH1A, APP APP 3/4885PSEN1 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.

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