SCHEMBL31670682

SCHEMBL31670682

CC(C)(C)OC(=O)N1CC(Oc2ccccc2)(C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(C#N)cc3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 18/20 0.48
▸ KCNH2 Q12809 4/20 0.48
▸ LTB4R Q15722 1/20 0.47
▸ LTB4R2 Q9NPC1 1/20 0.47
▸ P2RX7 Q99572 1/20 0.46
▸ CTSK P43235 1/20 0.42

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
SCHEMBL26986875 0.89 CTSC (0.53) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL27124677 0.89 CTSC (0.53) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL31670685 0.84 CTSC (0.52) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL27136158 0.81 CTSC (0.55) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL26986843 0.81 CTSC (0.55) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL30738872 0.78 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL30195065 0.75 CTSC (0.56) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL20162060 0.75 CTSC (0.56) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL26986850 0.74 CTSC (0.58) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL27131713 0.74 CTSC (0.58) CTSCKCNH2LTB4RLTB4R2CTSK

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-20250250232-A1 AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-08-07 — — 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-20250250232-A1 AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP9, DPP4, DPP3 CTSC 7/4885KCNH2 2233/4885LTB4R 1478/4885

“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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