SCHEMBL31757676

SCHEMBL31757676

N#C[C@@H](N)Cc1ccc(-c2ccc3oc(=O)n(CCN4CCOCC4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.48
▸ CTSC P53634 12/20 0.45
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40

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
SCHEMBL31758046 0.87 CTSC (0.44) SIGMAR1CTSCNOS3NOS1NOS2
SCHEMBL22711546 0.82 CTSC (0.54) CTSCKCNH2
SCHEMBL22711545 0.82 CTSC (0.54) CTSCKCNH2
SCHEMBL31758101 0.81 CTSC (0.52) CTSCKCNH2KMT2A
SCHEMBL31757858 0.81 CTSC (0.54) SIGMAR1CTSCKCNH2
SCHEMBL21985824 0.80 CTSC (0.52) CTSCKCNH2
SCHEMBL30738968 0.80 CTSC (0.52) CTSCKCNH2
SCHEMBL16932293 0.80 CTSC (0.52) CTSCKCNH2
SCHEMBL30538029 0.80 CTSC (0.52) CTSCKCNH2
Hydrochloric Acid SCHEMBL30738866 0.79 CTSC (0.51) CTSCKCNH2

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 SIGMAR1 917/4885CTSC 6/4885NOS3 3668/4885

“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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