SCHEMBL5065411

SCHEMBL5065411

CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccc(CF)cc2)c2ccccc2N(C)C1=O

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 14/20 0.85
RBPJ Q06330 4/20 0.85
PSEN1 P49768 2/20 0.85
PSEN2 P49810 2/20 0.85
APH1B Q8WW43 2/20 0.85
NCSTN Q92542 2/20 0.85
APH1A Q96BI3 2/20 0.85
PSENEN Q9NZ42 2/20 0.85
NOTCH3 Q9UM47 10/20 0.70
NOTCH2 Q04721 1/20 0.57
NOTCH4 Q99466 1/20 0.57
CCKBR P32239 2/20 0.55
KCNH2 Q12809 1/20 0.54

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
SCHEMBL18634631 0.92 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287889 0.92 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287605 0.92 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL5839931 0.92 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3289687 0.92 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL16273076 0.91 NOTCH1 (0.91) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287247 0.90 NOTCH1 (0.84) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL18634756 0.86 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3290428 0.86 NOTCH1 (1.00) NOTCH1RBPJPSEN1PSEN2APH1B
SCHEMBL3287265 0.85 NOTCH1 (0.82) NOTCH1RBPJPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-17 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-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's PSEN1, APP, GABRA6 NOTCH1 528/4885RBPJ 3834/4885PSEN1 1/4885

“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.