SCHEMBL6005093

SCHEMBL6005093

CN1C(=O)C(NC(=O)[C@H](c2ccc(F)cc2)[C@@H](O)c2ccc(F)c(F)c2)N=C(N2CCC(C(F)(F)F)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 5/20 0.48
NOTCH3 Q9UM47 5/20 0.48
CCKBR P32239 10/20 0.43
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
NOTCH2 Q04721 1/20 0.40
NOTCH4 Q99466 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
SCHEMBL6005213 0.92 NOTCH1 (0.47) NOTCH1NOTCH3CCKBRPSEN1PSEN2
SCHEMBL6005738 0.85 NOTCH1 (0.48) NOTCH1NOTCH3CCKBRPSEN1PSEN2
SCHEMBL6005701 0.81 PSEN1 (0.61) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005174 0.81 NOTCH1 (0.66) NOTCH1NOTCH3CCKBRPSEN1PSEN2
SCHEMBL6005727 0.81 NOTCH1 (0.66) NOTCH1NOTCH3CCKBRPSEN1PSEN2
SCHEMBL6003764 0.76 NOTCH1 (0.63) NOTCH1NOTCH3CCKBRPSEN1PSEN2
SCHEMBL6006644 0.73 PSEN1 (0.51) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL6006022 0.73 CCKBR (0.45) NOTCH1NOTCH3CCKBRPSEN1PSEN2
SCHEMBL6005806 0.73 CCKBR (0.45) NOTCH1NOTCH3CCKBRPSEN1PSEN2
SCHEMBL7816617 0.72 CCKBR (0.80) CCKBR

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 1605/4885CCKBR 642/4885

“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.