SCHEMBL6005336

SCHEMBL6005336

CN1C(=O)C(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N=C(c2ccc(C(N)=O)cc2)c2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.88
CCKBR P32239 7/20 0.88
CCKAR P32238 4/20 0.88
KCNH2 Q12809 1/20 0.63
PSEN1 P49768 1/20 0.59
PSEN2 P49810 1/20 0.59
APH1B Q8WW43 1/20 0.59
NCSTN Q92542 1/20 0.59
APH1A Q96BI3 1/20 0.59
PSENEN Q9NZ42 1/20 0.59

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
SCHEMBL6005333 1.00 SCN9A (0.88) SCN9ACCKBRCCKARKCNH2PSEN1
SCHEMBL9526577 0.94 SCN9A (1.00) SCN9ACCKBRCCKARKCNH2
SCHEMBL9526573 0.94 SCN9A (1.00) SCN9ACCKBRCCKARKCNH2
SCHEMBL9526582 0.94 SCN9A (1.00) SCN9ACCKBRCCKARKCNH2
SCHEMBL6005356 0.91 SCN9A (0.72) SCN9ACCKBRCCKARPSEN1PSEN2
SCHEMBL9868387 0.86 CCKBR (1.00) SCN9ACCKBRCCKARKCNH2
SCHEMBL9866835 0.86 CCKBR (1.00) SCN9ACCKBRCCKARKCNH2
SCHEMBL7066281 0.85 SCN9A (0.82) SCN9ACCKBRCCKARKCNH2
SCHEMBL9385707 0.84 SCN9A (0.81) SCN9ACCKBRCCKARKCNH2
SCHEMBL6005656 0.84 PSEN1 (0.80) SCN9ACCKBRCCKARKCNH2PSEN1

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 SCN9A 305/4885CCKBR 642/4885CCKAR 838/4885

“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.