SCHEMBL6006474

SCHEMBL6006474

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 11/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
NOTCH1 P46531 4/20 0.41
NOTCH3 Q9UM47 4/20 0.41
CCKBR P32239 4/20 0.37
CCKAR P32238 3/20 0.37

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
SCHEMBL6006596 0.92 PSEN1 (0.43) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005159 0.91 OXTR (0.49) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6003854 0.88 OXTR (0.54) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6006485 0.88 NOTCH1 (0.43) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6003911 0.79 CCKBR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005834 0.79 CCKBR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005114 0.78 PSEN1 (0.57) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005899 0.76 PSEN1 (0.54) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005343 0.76 NOTCH1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6005168 0.76 NOTCH1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP claimed
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 OXTR 773/4885PSEN1 2/4885PSEN2 9/4885

“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.