SCHEMBL31757914

SCHEMBL31757914

Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C(N)Cc4cncc(O)c4)cc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.54
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CTSH P09668 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL31757911 0.89 CTSC (0.54) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL31757699 0.86 CTSC (0.57) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL31757919 0.86 CTSC (0.56) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL31758126 0.85 CTSC (0.56) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL31757801 0.85 CTSC (0.49) CTSCCTSKKCNH2
SCHEMBL31757918 0.85 CTSC (0.60) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL31758033 0.85 CTSC (0.57) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL31757783 0.84 CTSC (0.59) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL31757966 0.84 CTSC (0.56) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL31758104 0.83 CTSC (0.57) CTSCCYP1A2CYP3A4CTSHCYP2D6

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 6/4885CYP1A2 1348/4885CYP3A4 655/4885

“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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