SCHEMBL4897335

SCHEMBL4897335

COc1ccccc1C(C#N)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 1.00
CTSS P25774 8/20 1.00
CTSB P07858 6/20 0.47
KCNH2 Q12809 1/20 0.42
DRD3 P35462 1/20 0.42
MAPK1 P28482 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL4889472 0.87 CTSK (0.77) CTSKCTSSCTSBKCNH2
SCHEMBL4898712 0.85 CTSK (0.73) CTSKCTSSCTSBKCNH2
SCHEMBL4898705 0.85 CTSK (0.73) CTSKCTSSCTSBKCNH2
SCHEMBL4895669 0.85 CTSK (0.73) CTSKCTSSCTSBKCNH2
SCHEMBL4898805 0.82 CTSK (0.70) CTSKCTSSCTSB
SCHEMBL4897875 0.78 CTSK (0.64) CTSKCTSSCTSB
SCHEMBL4898832 0.78 CTSK (0.74) CTSKCTSSCTSBKCNH2
SCHEMBL4898835 0.78 CTSK (0.74) CTSKCTSSCTSBKCNH2
SCHEMBL4898830 0.78 CTSK (0.74) CTSKCTSSCTSBKCNH2
SCHEMBL4898182 0.77 CTSS (0.61) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234274-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-09-25 US claimed
US-20050245522-A1 Novel compounds ASTRAZENECA AB (SE) 2005-11-03 US claimed
US-20080234274-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-09-25 US disclosed
EP-1532124-B1 Use of nitrile derivatives as medicament. ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
US-20050245522-A1 Novel compounds ASTRAZENECA AB (SE) 2005-11-03 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 (2 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-20080234274-A1 Novel Compounds CTSS, CTSB, CTSF CTSK 8/4885CTSS 1/4885CTSB 2/4885
US-20050245522-A1 Novel compounds CTSS, CTSB, CTSF CTSK 8/4885CTSS 1/4885CTSB 2/4885

“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.