SCHEMBL5408458

SCHEMBL5408458

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
ACE P12821 2/20 0.44
APP P05067 4/20 0.43
CTSS P25774 3/20 0.42
CTSL P07711 2/20 0.42
CTSK P43235 2/20 0.42
CTSB P07858 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SYK P43405 1/20 0.41
CYP3A4 P08684 1/20 0.41
KLK5 Q9Y337 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 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
SCHEMBL5416338 1.00 ATM (0.51) ATMACEAPPCTSSCTSL
SCHEMBL5403570 0.90 ATM (0.53) ATMACEAPPCTSSCTSL
SCHEMBL5403799 0.82 CTSS (0.53) ATMACECTSSCTSLCTSK
SCHEMBL5408479 0.81 ATM (0.54) ATMACEAPPCTSSCTSL
SCHEMBL5414242 0.81 ATM (0.56) ATMACEAPPCTSSCTSL
SCHEMBL5412239 0.81 ATM (0.56) ATMACEAPPCTSSCTSL
SCHEMBL5744538 0.78 ATM (0.67) ATMACEAPPCTSSCTSL
SCHEMBL5411660 0.78 ATM (0.67) ATMACEAPPCTSSCTSL
SCHEMBL5411669 0.78 ATM (0.67) ATMACEAPPCTSSCTSL
SCHEMBL9977212 0.78 ATM (0.58) ATMACEAPPCTSSCTSL

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 2 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

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 ATM 2145/4885ACE 2817/4885APP 1184/4885

“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.