SCHEMBL5403799

SCHEMBL5403799

CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.53
CTSB P07858 2/20 0.53
CTSL P07711 1/20 0.53
ACE P12821 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
AKT1 P31749 1/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.47
OPRK1 P41145 1/20 0.46
KLK5 Q9Y337 1/20 0.45
SCN9A Q15858 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL7446338 0.91 BCL2 (0.53) ACE
SCHEMBL5412133 0.88 PPARA (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL5403570 0.83 ATM (0.53) CTSSCTSKCTSBCTSLACE
SCHEMBL5416338 0.82 ATM (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL5408458 0.82 ATM (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL5404145 0.81 ATM (0.43) CTSSCTSKCTSBCTSLACE
SCHEMBL5406797 0.81 ATM (0.43) CTSSCTSKCTSBCTSLACE
SCHEMBL6263984 0.81 CTSK (0.42) CTSSCTSKCTSBCTSLACE
SCHEMBL5873366 0.81 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL5408063 0.80 KMT2A (0.67) CTSSCTSKCTSBCTSLACE

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.