SCHEMBL6006513

SCHEMBL6006513

NC(=O)CN1C(=O)C(NC(=O)[C@H](c2ccc(F)cc2)[C@@H](O)c2ccc(F)c(F)c2)N=C(c2ccc3c(c2)OCO3)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.71
PSEN2 P49810 15/20 0.71
APH1B Q8WW43 15/20 0.71
NCSTN Q92542 15/20 0.71
APH1A Q96BI3 15/20 0.71
PSENEN Q9NZ42 15/20 0.71
NOTCH1 P46531 3/20 0.46
NOTCH3 Q9UM47 3/20 0.46
OXTR P30559 1/20 0.42
CCKBR P32239 1/20 0.40

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
SCHEMBL6005151 1.00 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005917 0.90 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006011 0.90 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006620 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005899 0.86 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006559 0.83 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005758 0.83 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005626 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005373 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005120 0.81 NOTCH1 (0.56) 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 4 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
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 WO 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.