SCHEMBL3645286

SCHEMBL3645286

CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.57
CTSK P43235 11/20 0.57
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
TRPA1 O75762 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL23200865 0.89 CTSS (0.54) CTSSCTSKCTSLCTSBPRSS1
SCHEMBL14448525 0.88 CTSS (0.53) CTSSCTSKCTSLCTSBPRSS1
SCHEMBL7114124 0.84 CTSS (0.56) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL31724504 0.84 CTSS (0.56) CTSSCTSKCTSLCTSBTRPA1
SCHEMBL7045324 0.83 CTSS (0.61) CTSSCTSKCTSLCTSBPRSS1
Water SCHEMBL11877240 0.83 CTSS (0.53) CTSSCTSKCTSLCTSB
SCHEMBL13149842 0.83 ACACB (0.49) CTSSCTSKCTSLCTSBPRSS1
SCHEMBL8172182 0.83 ACACB (0.49) CTSSCTSKCTSLCTSBPRSS1
SCHEMBL23224313 0.83 ACACB (0.49) CTSSCTSKCTSLCTSBPRSS1
SCHEMBL19490451 0.83 CTSS (0.47) CTSSCTSKCTSLCTSBPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A CTSS 4504/4885CTSK 4783/4885CTSL 3769/4885

“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.