SCHEMBL13875791

SCHEMBL13875791

C[C@H](O)[C@@H](CC1CC1)C(=O)N[C@H]1CCc2ccccc2N(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.53
▸ MME P08473 3/20 0.52
▸ ACE P12821 3/20 0.52
▸ XIAP P98170 10/20 0.51
▸ RIPK1 Q13546 4/20 0.51
▸ PSEN1 P49768 1/20 0.48
▸ PSEN2 P49810 1/20 0.48
▸ APH1B Q8WW43 1/20 0.48
▸ NCSTN Q92542 1/20 0.48
▸ APH1A Q96BI3 1/20 0.48
▸ PSENEN Q9NZ42 1/20 0.48

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
SCHEMBL4218830 0.77 RIPK1 (0.63) SCN9AMMEACEXIAPRIPK1
SCHEMBL3924251 0.77 RIPK1 (0.63) SCN9AMMEACEXIAPRIPK1
SCHEMBL14376829 0.77 RIPK1 (0.60) SCN9AMMEACEXIAPRIPK1
SCHEMBL13875790 0.76 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3287904 0.76 NOTCH1 (0.53) SCN9AMMEACEXIAPRIPK1
SCHEMBL5948015 0.76 NOTCH1 (0.53) SCN9AMMEACEXIAPRIPK1
SCHEMBL13875787 0.73 MMP1 (0.43) MMEACEXIAP
SCHEMBL8670502 0.73 SCN9A (0.55) SCN9AMMEACEXIAPRIPK1
SCHEMBL8665579 0.73 AGTR1 (0.55) SCN9AMMEACEXIAPRIPK1
SCHEMBL4985420 0.72 PSEN1 (0.63) SCN9AXIAPPSEN1PSEN2APH1B

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-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 — — 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-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A SCN9A 84/4885MME 486/4885ACE 263/4885

“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.

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