SCHEMBL6003784

SCHEMBL6003784

CN1C(=O)C(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)N=C(c2ccc(C(N)=O)cc2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.69
KCNH2 Q12809 1/20 0.69
PSEN1 P49768 2/20 0.68
PSEN2 P49810 2/20 0.68
APH1B Q8WW43 2/20 0.68
NCSTN Q92542 2/20 0.68
APH1A Q96BI3 2/20 0.68
PSENEN Q9NZ42 2/20 0.68
OXTR P30559 3/20 0.57
CCKAR P32238 2/20 0.53
SCN9A Q15858 1/20 0.51
NOTCH1 P46531 1/20 0.51
RBPJ Q06330 1/20 0.51

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
SCHEMBL6005395 1.00 CCKBR (0.69) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL6006173 0.92 PSEN1 (0.80) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL6005324 0.90 PSEN1 (0.65) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL6005648 0.90 PSEN1 (0.65) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL6005720 0.89 PSEN1 (0.67) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL6005352 0.89 PSEN1 (0.64) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL6005716 0.87 PSEN1 (0.62) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL6005356 0.85 SCN9A (0.72) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL4701565 0.85 PSEN1 (0.59) CCKBRKCNH2PSEN1PSEN2APH1B
SCHEMBL6003771 0.83 CCKBR (0.68) CCKBRKCNH2PSEN1PSEN2APH1B

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 CCKBR 642/4885KCNH2 1795/4885PSEN1 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.