SCHEMBL7690161

SCHEMBL7690161

Cc1ccc(N2CCC(C#N)(NC(=O)[CH]CC(C)(C)C)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.37
CTSB P07858 9/20 0.37
CTSS P25774 8/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
KCNQ2 O43526 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL5372333 0.89 JAK2 (0.37) CTSKCTSBCTSSKCNH2MAPT
SCHEMBL7690165 0.81 MAPT (0.41) CTSKCTSBCTSSKCNH2MAPT
SCHEMBL5368736 0.80 CTSK (0.42) CTSKCTSBCTSSMAPTMEN1
SCHEMBL5356443 0.79 CTSK (0.42) CTSKCTSBCTSSSMN1; SMN2CTSL
SCHEMBL5368643 0.79 CTSB (0.47) CTSKCTSBCTSSMAPTKDM4E
SCHEMBL5372334 0.78 CTSC (0.43) CTSKCTSBCTSSKCNH2JAK2
SCHEMBL5361066 0.78 FFAR4 (0.40) CTSKCTSBCTSSKCNH2MAPT
SCHEMBL5364843 0.75 ALDH1A1 (0.35) MAPTJAK2JAK1KDM4ENPC1
SCHEMBL5375302 0.72 FFAR4 (0.42) CTSKCTSBCTSSMAPTMEN1
SCHEMBL5364959 0.72 USP2 (0.44) CTSKCTSBCTSSMEN1KMT2A

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 CTSK 2/4885CTSB 3/4885CTSS 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.