SCHEMBL24953916

SCHEMBL24953916

CCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2cc(F)cc(F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 16/20 0.40
▸ PSEN2 P49810 16/20 0.40
▸ APH1B Q8WW43 16/20 0.40
▸ NCSTN Q92542 16/20 0.40
▸ APH1A Q96BI3 16/20 0.40
▸ PSENEN Q9NZ42 16/20 0.40
▸ GCK P35557 3/20 0.39

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
SCHEMBL24954122 0.91 GCK (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24953728 0.91 GCK (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24953924 0.91 GCK (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24953737 0.91 GCK (0.44) GCK
SCHEMBL24952962 0.91 GCK (0.44) GCK
SCHEMBL24953890 0.86 CCNE1 (0.46) —
SCHEMBL24953935 0.86 GCK (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24952913 0.86 GCK (0.38) GCK
SCHEMBL24952914 0.85 ACACB (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24953681 0.84 GCK (0.38) GCK

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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders DERMIRA, INC. 2023-01-26 — — 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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders MRGPRX2, MRGPRX1, MRGPRX4 PSEN1 2415/4885PSEN2 1308/4885APH1B 3665/4885

“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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