SCHEMBL6005598

SCHEMBL6005598

C[C@@H](Cc1ccc(F)c(F)c1)C(=O)NC1N=C(c2ccc3c(c2)OCO3)c2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.88
PSEN2 P49810 18/20 0.88
APH1B Q8WW43 18/20 0.88
NCSTN Q92542 18/20 0.88
APH1A Q96BI3 18/20 0.88
PSENEN Q9NZ42 18/20 0.88
CCKBR P32239 2/20 0.47

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
SCHEMBL6003900 0.94 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003908 0.94 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005373 0.94 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005626 0.94 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006435 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005136 0.92 PSEN1 (0.90) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005861 0.92 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003691 0.91 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003742 0.91 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006061 0.91 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A

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-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP PSEN1 2/4885PSEN2 9/4885APH1B 56/4885

“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.