SCHEMBL458321

SCHEMBL458321

CC(C)(C)OC(=O)NC1CCN(C#N)CC1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.83
KCNA3 P22001 1/20 0.52
BTK Q06187 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HSD11B1 P28845 2/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CYP2C9 P11712 1/20 0.45
CTSH P09668 1/20 0.45
EPHX1 P07099 2/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
DRD2 P14416 2/20 0.43
GAA P10253 1/20 0.42
JAK3 P52333 1/20 0.42
NAMPT P43490 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
SCHEMBL14375421 0.91 CTSK (1.00) CTSKKCNA3BTKCA1CA2
SCHEMBL14349368 0.91 CTSK (1.00) CTSKKCNA3BTKCA1CA2
SCHEMBL7283644 0.86 CTSK (0.67) CTSKKCNA3BTKCA1CA2
SCHEMBL19725934 0.82 CTSK (0.84) CTSKKCNA3BTKCA1CA2
SCHEMBL6923881 0.81 CTSK (0.60) CTSKKCNA3BTKCA1CA2
SCHEMBL24068416 0.80 CTSK (0.59) CTSKKCNA3BTKCA1CA2
SCHEMBL359203 0.80 CTSK (0.59) CTSKKCNA3BTKCA1CA2
SCHEMBL1307244 0.80 CTSK (0.76) CTSKKCNA3BTKCA1CA2
SCHEMBL6826856 0.80 CTSK (0.76) CTSKKCNA3BTKCA1CA2
SCHEMBL3702152 0.79 BTK (0.61) CTSKBTKCA1CA2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 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 (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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A CTSK 1812/4885KCNA3 1262/4885BTK 2910/4885

“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.