SCHEMBL17483511

SCHEMBL17483511

N#C[C@@H](N)Cc1ccc(N2CCN(C3COC3)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 18/20 0.49
▸ CTSK P43235 10/20 0.49
▸ ALK Q9UM73 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL17483513 0.88 CTSC (0.45) CTSCCTSK
SCHEMBL17485376 0.78 RORC (0.42) CTSCCTSKALKKITKDR
SCHEMBL20384054 0.78 CTSC (0.57) CTSCCTSK
SCHEMBL24981840 0.76 CTSC (0.52) CTSCCTSKALK
SCHEMBL28989271 0.76 CTSC (0.52) CTSCCTSKALK
SCHEMBL24374736 0.74 LGMN (0.42) ALKKITKDR
SCHEMBL17586446 0.74 CTSC (0.64) CTSCCTSK
SCHEMBL17474633 0.73 CTSC (0.70) CTSCCTSK
SCHEMBL31757930 0.72 CTSC (0.40) CTSCCTSK
SCHEMBL17474629 0.72 CTSC (0.90) CTSCCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174879-B1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2018-07-18 — — EP disclosed
US-9440960-B2 Substituted oxetanes and their use as inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-13 — — US disclosed
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — 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-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C CTSE, CTSC, CTSZ CTSC 2/4885CTSK 10/4885ALK 3303/4885

“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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