SCHEMBL4891813

SCHEMBL4891813

COCC[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.65
CTSS P25774 13/20 0.65
CTSB P07858 12/20 0.65
KCNH2 Q12809 1/20 0.58
ADAM10 O14672 1/20 0.45
ERBB2 P04626 1/20 0.45
MMP2 P08253 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSC P53634 1/20 0.43

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 0.80 CTSK (0.77) CTSKCTSSCTSBKCNH2ADAM10
SCHEMBL208853 0.75 ADAM10 (0.77) CTSKCTSSCTSBKCNH2ADAM10
SCHEMBL8115758 0.73 CTSK (1.00) CTSKCTSSCTSBKCNH2
SCHEMBL4894615 0.72 CTSK (0.87) CTSKCTSSCTSBKCNH2
SCHEMBL4896532 0.71 CTSK (0.64) CTSKCTSSCTSBKCNH2ADAM10
SCHEMBL6394484 0.71 CTSK (0.64) CTSKCTSSCTSBKCNH2ADAM10
SCHEMBL4899778 0.70 CTSK (0.89) CTSKCTSSCTSBKCNH2
SCHEMBL4897335 0.69 CTSK (1.00) CTSKCTSSCTSBKCNH2
SCHEMBL6755276 0.66 CTSC (0.39) CTSKCTSSCTSBKCNH2CTSC
SCHEMBL4898835 0.66 CTSK (0.74) CTSKCTSSCTSBKCNH2

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
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.