SCHEMBL13729151

SCHEMBL13729151

CC(C)c1ccc(-c2cccc(C#N)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
BRS3 P32247 1/20 0.43
USP30 Q70CQ3 1/20 0.42
CTSK P43235 3/20 0.41
IDH1 O75874 1/20 0.40
HSD11B1 P28845 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
TGFBR1 P36897 1/20 0.38
KDM5B Q9UGL1 1/20 0.36
PANK3 Q9H999 1/20 0.35
SCN9A Q15858 4/20 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
SCHEMBL4022718 0.81 CTSS (0.50) CTSSBRS3USP30CTSKIRAK4
SCHEMBL13750588 0.80 CTSS (0.47) CTSSBRS3USP30CTSKIDH1
SCHEMBL13728633 0.78 CYP2A6 (0.51) BRS3IRAK4TGFBR1
SCHEMBL13659740 0.77 ASIC3 (0.49) BRS3IDH1IRAK4TGFBR1
SCHEMBL13728687 0.77 MAPT (0.45) TGFBR1KDM5B
SCHEMBL29310630 0.75 BTK (0.42) IDH1TGFBR1
SCHEMBL27446431 0.74 KDM5B (0.40) KDM5BPANK3
SCHEMBL13728929 0.73 IDH1 (0.46) IDH1TGFBR1
SCHEMBL179277 0.73 HSD11B1 (0.41) CTSSCTSKIDH1HSD11B1TGFBR1
SCHEMBL24345242 0.73 CTSS (0.51) CTSSBRS3CTSKIDH1IRAK4

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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CTSS 1941/4885BRS3 24/4885USP30 4597/4885

“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.