SCHEMBL6003636

SCHEMBL6003636

COC(=O)CN1C(=O)C(NC(=O)C(C)Cc2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OXTR P30559 7/20 0.65
PSEN1 P49768 6/20 0.65
PSEN2 P49810 6/20 0.65
APH1B Q8WW43 6/20 0.65
NCSTN Q92542 6/20 0.65
APH1A Q96BI3 6/20 0.65
PSENEN Q9NZ42 6/20 0.65
CCKBR P32239 5/20 0.54
CCKAR P32238 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
SCHEMBL6005661 0.91 OXTR (0.70) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6003771 0.87 CCKBR (0.68) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005694 0.86 OXTR (0.60) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL7097482 0.86 OXTR (0.68) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005683 0.86 OXTR (0.68) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005678 0.83 OXTR (0.56) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005069 0.83 OXTR (0.68) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005007 0.81 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6006404 0.81 PSEN1 (0.78) OXTRPSEN1PSEN2APH1BNCSTN
SCHEMBL6005982 0.81 PSEN1 (0.70) 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 2 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

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.