SCHEMBL2245307

SCHEMBL2245307

N#CC1(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3[nH]c4cccc(F)c4c3C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 1.00
CTSB P07858 1/20 0.71

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
SCHEMBL14642154 1.00 CTSK (1.00) CTSKCTSB
SCHEMBL14563123 0.88 CTSK (0.78) CTSKCTSB
SCHEMBL2241184 0.87 CTSK (0.78) CTSKCTSB
SCHEMBL2239705 0.87 CTSK (0.83) CTSKCTSB
SCHEMBL2241261 0.86 CTSK (1.00) CTSKCTSB
SCHEMBL2243471 0.83 CTSK (1.00) CTSKCTSB
SCHEMBL2244605 0.83 CTSB (1.00) CTSKCTSB
SCHEMBL4787930 0.82 CTSK (0.69) CTSKCTSB
SCHEMBL8109032 0.81 CTSK (0.69) CTSKCTSB
SCHEMBL8091663 0.81 CTSK (1.00) CTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP claimed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US claimed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US claimed
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 WO disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB CTSK 5/4885CTSB 3/4885

“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.