SCHEMBL6006485

SCHEMBL6006485

CC(C)C1=NC(NC(=O)[C@H](c2ccc(F)cc2)[C@@H](O)c2ccc(C(F)(F)F)c(F)c2)C(=O)N(CC(N)=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 8/20 0.43
NOTCH3 Q9UM47 8/20 0.43
PSEN1 P49768 5/20 0.42
PSEN2 P49810 5/20 0.42
APH1B Q8WW43 5/20 0.42
NCSTN Q92542 5/20 0.42
APH1A Q96BI3 5/20 0.42
PSENEN Q9NZ42 5/20 0.42
OXTR P30559 1/20 0.38
NOTCH2 Q04721 1/20 0.37
NOTCH4 Q99466 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
CCKBR P32239 3/20 0.34
KCNH2 Q12809 1/20 0.34
CCKAR P32238 2/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL6006474 0.88 OXTR (0.42) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6005125 0.80 CCKBR (0.45) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6006596 0.80 PSEN1 (0.43) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6005159 0.79 OXTR (0.49) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6005114 0.78 PSEN1 (0.57) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6005899 0.78 PSEN1 (0.54) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6003764 0.77 NOTCH1 (0.63) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6003854 0.76 OXTR (0.54) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6003711 0.75 PSEN1 (0.54) NOTCH1NOTCH3PSEN1PSEN2APH1B
SCHEMBL6005151 0.75 PSEN1 (0.71) NOTCH1NOTCH3PSEN1PSEN2APH1B

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 NOTCH1 803/4885NOTCH3 1605/4885PSEN1 2/4885

“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.