SCHEMBL4699579

SCHEMBL4699579

CN1C(=O)C(NC(=O)COc2ccc(Cl)cc2Cl)N=C(c2ccc(C(N)=O)cc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.57
CCKAR P32238 4/20 0.57
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
KCNH2 Q12809 1/20 0.55
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL4697357 0.92 CCKBR (0.56) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL8609854 0.92 CCKBR (0.67) CCKBRCCKARKCNH2HDAC3HDAC4
SCHEMBL4698167 0.86 CCKBR (0.56) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL4697333 0.85 KCNH2 (0.66) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL4699922 0.83 KCNH2 (0.59) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL4699586 0.81 CCKBR (0.64) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL4699595 0.81 PSEN1 (0.59) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL4698204 0.80 PSEN1 (0.60) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL6006552 0.80 PSEN1 (0.72) CCKBRCCKARPSEN1PSEN2APH1B
SCHEMBL6003868 0.80 CCKBR (0.58) CCKBRCCKARPSEN1PSEN2APH1B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326849-B1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2008-07-16 EP claimed
EP-1326849-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE Merck Sharp & Dohme Limited (GB) 2003-07-16 EP claimed
WO-2002030912-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2002-04-18 WO claimed
EP-1326849-B1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2008-07-16 EP disclosed
US-6995155-B2 Benzodiazepine derivatives as inhibitors of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2006-02-07 US disclosed
US-20040024203-A1 Benzodiazepine derivatives as inhibitors of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1326849-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE Merck Sharp & Dohme Limited (GB) 2003-07-16 EP disclosed
WO-2002030912-A1 BENZODIAZEPINE DERIVATIVES AS INHIBITORS OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2002-04-18 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-20040024203-A1 Benzodiazepine derivatives as inhibitors of gamma secretase BACE1, BACE2, PSEN1 CCKBR 327/4885CCKAR 757/4885PSEN1 3/4885

“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.