SCHEMBL7690165

SCHEMBL7690165

Cc1ccc(N2CCC(C#N)(NC(=O)CCC(C)(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
CTSK P43235 7/20 0.39
CTSS P25774 6/20 0.39
CTSB P07858 6/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GFER P55789 2/20 0.37
KCNQ2 O43526 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7690161 0.81 CTSK (0.37) MAPTGLACTSKCTSSCTSB
SCHEMBL5372334 0.79 CTSC (0.43) CTSKCTSSCTSBKCNH2JAK2
SCHEMBL5372333 0.75 JAK2 (0.37) MAPTGLACTSKCTSSCTSB
SCHEMBL6105917 0.72 CTSS (0.56) CTSKCTSSCTSB
SCHEMBL6973197 0.71 CTSS (0.43) CTSKCTSSCTSB
SCHEMBL6968200 0.70 CTSS (0.34) CTSKCTSSCTSB
SCHEMBL5357537 0.70 CTSS (0.47) CTSKCTSSCTSBKCNH2
SCHEMBL5368741 0.69 CTSC (0.46) CTSKCTSSCTSB
SCHEMBL5368645 0.68 CTSK (0.51) MAPTCTSKCTSSCTSBALDH1A1
SCHEMBL5356445 0.68 CTSK (0.49) CTSKCTSSCTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 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 (1 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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB MAPT 4375/4885GLA 311/4885CTSK 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.