SCHEMBL4894615

SCHEMBL4894615

CN1CCC(C#N)(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.87
CTSB P07858 19/20 0.87
CTSS P25774 18/20 0.87
KCNH2 Q12809 5/20 0.87
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL8115758 0.93 CTSK (1.00) CTSKCTSBCTSSKCNH2
SCHEMBL4899778 0.90 CTSK (0.89) CTSKCTSBCTSSKCNH2
SCHEMBL8114182 0.83 CTSB (0.77) CTSKCTSBCTSSKCNH2CYP3A4
SCHEMBL8113806 0.82 CTSK (1.00) CTSKCTSBCTSSKCNH2CYP3A4
SCHEMBL4573152 0.81 CTSB (0.67) CTSKCTSBCTSSKCNH2CYP3A4
SCHEMBL8106040 0.81 CTSB (0.74) CTSKCTSBCTSSKCNH2CYP3A4
SCHEMBL8106264 0.80 CTSB (0.75) CTSKCTSBCTSSKCNH2CYP3A4
SCHEMBL4589750 0.80 CTSK (0.94) CTSKCTSBCTSSKCNH2CYP3A4
SCHEMBL8107852 0.79 CTSK (0.75) CTSKCTSBCTSSKCNH2CYP3A4
SCHEMBL8107396 0.79 CTSK (1.00) CTSKCTSBCTSSKCNH2CYP3A4

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 8 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
EP-1532124-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2004000825-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-12-31 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 (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 8/4885CTSB 2/4885CTSS 1/4885
US-20050245522-A1 Novel compounds CTSS, CTSB, CTSF CTSK 8/4885CTSB 2/4885CTSS 1/4885

“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.