SCHEMBL31757779

SCHEMBL31757779

Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C[C@@H](N)Cc4cccc(O)c4)cc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.54
▸ KCNH2 Q12809 1/20 0.44
▸ CTSK P43235 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CTSH P09668 1/20 0.39
▸ CYP2D6 P10635 1/20 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
SCHEMBL31757700 0.93 CTSC (0.57) CTSCKCNH2CTSKCYP1A2CYP3A4
SCHEMBL31757764 0.87 CTSC (0.54) CTSCKCNH2CTSKCYP1A2CYP3A4
SCHEMBL31758050 0.86 CTSC (0.54) CTSCKCNH2
SCHEMBL31758080 0.85 CTSC (0.49) CTSCKCNH2CTSK
SCHEMBL31757712 0.85 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL31757891 0.84 CTSC (0.59) CTSCKCNH2CTSKCYP1A2CYP3A4
SCHEMBL31757788 0.84 CTSC (0.56) CTSCKCNH2CTSKCYP1A2CYP3A4
SCHEMBL31757662 0.83 CTSC (0.54) CTSCKCNH2CTSKCYP1A2CYP3A4
SCHEMBL31757705 0.83 CTSC (0.54) CTSCKCNH2CTSKCYP1A2CYP3A4
SCHEMBL31757924 0.82 CTSC (0.59) CTSCKCNH2CTSK

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-20260008758-A1 LINEAR DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2026-01-08 — — 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-20260008758-A1 LINEAR DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF DPP3, DPP7, DPP9 CTSC 6/4885KCNH2 1357/4885CTSK 82/4885

“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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