SCHEMBL5403871

SCHEMBL5403871

CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.69
CTSK P43235 10/20 0.69
CTSB P07858 4/20 0.69
CTSL P07711 2/20 0.69
AKT1 P31749 1/20 0.67
ACE P12821 1/20 0.55
PTPN1 P18031 2/20 0.53
PTPRA P18433 1/20 0.53

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
SCHEMBL2440946 0.90 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21010315 0.90 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5408851 0.89 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16288190 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5873387 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5873364 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2442760 0.88 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2446582 0.88 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10040933 0.88 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2444606 0.87 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1

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
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 CTSS 3490/4885CTSK 4240/4885CTSB 3954/4885

“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.