SCHEMBL4897875

SCHEMBL4897875

COc1ccccc1C(C#N)NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.64
CTSS P25774 5/20 0.64
CTSB P07858 5/20 0.61
CTSL P07711 1/20 0.61
KEAP1 Q14145 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 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
SCHEMBL4898712 0.87 CTSK (0.73) CTSKCTSSCTSBCTSL
SCHEMBL4898705 0.87 CTSK (0.73) CTSKCTSSCTSBCTSL
SCHEMBL4895669 0.87 CTSK (0.73) CTSKCTSSCTSBCTSL
SCHEMBL4898805 0.84 CTSK (0.70) CTSKCTSSCTSBCTSL
SCHEMBL4889472 0.80 CTSK (0.77) CTSKCTSSCTSBALDH1A1MEN1
SCHEMBL4898182 0.80 CTSS (0.61) CTSKCTSSALDH1A1MEN1KMT2A
SCHEMBL4898191 0.80 CTSS (0.61) CTSKCTSSALDH1A1MEN1KMT2A
SCHEMBL4898169 0.80 CTSS (0.61) CTSKCTSSALDH1A1MEN1KMT2A
SCHEMBL4897335 0.78 CTSK (1.00) CTSKCTSSCTSB
SCHEMBL4789866 0.73 CTSK (0.70) CTSKCTSSCTSBCTSL

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.