SCHEMBL13617149

SCHEMBL13617149

CC(C)(C)CCN/C(=N/C#N)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
CTSS P25774 6/20 0.34
CTSD P07339 2/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 2/20 0.32
CTSK P43235 1/20 0.32
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL12619275 0.85 CTSS (0.38) HTTCTSSCTSDCTSLCTSB
SCHEMBL2760089 0.80 HTT (0.50) HTTCTSSCTSDCTSLCTSB
SCHEMBL14996224 0.80 CTSS (0.40) HTTCTSSMAPTCTSKTSHR
SCHEMBL11989259 0.78 CTSS (0.34) HTTCTSSCTSDCTSLCTSB
SCHEMBL13701373 0.77 CTSS (0.41) HTTCTSSCTSLMAPTCTSK
SCHEMBL11989223 0.76 TSHR (0.40) MAPTTSHRHSD17B10
SCHEMBL2736388 0.73 CTSS (0.36) HTTCTSSMAPTCTSKSMN1; SMN2
SCHEMBL12652971 0.72 POLB (0.40) HTTCTSSCTSK
SCHEMBL11989260 0.70 KDM4E (0.34) KDM4E
SCHEMBL14491889 0.70 MEN1 (0.39) CTSSMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 HTT 1847/4885CTSS 53/4885CTSD 92/4885

“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.