SCHEMBL4898705

SCHEMBL4898705

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.73
CTSS P25774 14/20 0.73
CTSB P07858 11/20 0.50
CTSL P07711 1/20 0.43
ADAM10 O14672 1/20 0.42
ERBB2 P04626 1/20 0.42
MMP2 P08253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4898712 1.00 CTSK (0.73) CTSKCTSSCTSBCTSLADAM10
SCHEMBL4895669 1.00 CTSK (0.73) CTSKCTSSCTSBCTSLADAM10
SCHEMBL4898805 0.89 CTSK (0.70) CTSKCTSSCTSBCTSLADAM10
SCHEMBL4889472 0.87 CTSK (0.77) CTSKCTSSCTSBADAM10ERBB2
SCHEMBL4897875 0.87 CTSK (0.64) CTSKCTSSCTSBCTSL
SCHEMBL4897335 0.85 CTSK (1.00) CTSKCTSSCTSBKCNH2
Pexantel SCHEMBL5698680 0.83 CTSS (0.53) CTSKCTSSKDM4ETDP1
SCHEMBL4898169 0.83 CTSS (0.61) CTSKCTSSKDM4E
SCHEMBL4898191 0.83 CTSS (0.61) CTSKCTSSKDM4E
SCHEMBL4898182 0.83 CTSS (0.61) CTSKCTSSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234274-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-09-25 US claimed
EP-1532124-B1 Use of nitrile derivatives as medicament. ASTRAZENECA AB (SE) 2006-07-19 EP 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.