SCHEMBL6005221

SCHEMBL6005221

CC1CN(C2=NC(NC(=O)[C@@H](C)Cc3ccc(C(F)(F)F)c(F)c3)C(=O)Nc3ccccc32)CC(C)O1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.54
PSEN2 P49810 10/20 0.54
APH1B Q8WW43 10/20 0.54
NCSTN Q92542 10/20 0.54
APH1A Q96BI3 10/20 0.54
PSENEN Q9NZ42 10/20 0.54
CBLB Q13191 1/20 0.41
CCKAR P32238 4/20 0.40
CCKBR P32239 4/20 0.40
NOTCH1 P46531 3/20 0.40
NOTCH3 Q9UM47 3/20 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
SCHEMBL6005375 0.83 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003387 0.74 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005038 0.73 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003846 0.72 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005216 0.70 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005365 0.69 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6003807 0.67 CCKBR (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006498 0.65 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005125 0.65 CCKBR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005701 0.65 PSEN1 (0.61) 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.