SCHEMBL5412239

SCHEMBL5412239

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
APP P05067 4/20 0.47
ACE P12821 1/20 0.47
CYP3A4 P08684 5/20 0.46
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
SYK P43405 1/20 0.45
SCN9A Q15858 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42

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
SCHEMBL5414242 0.91 ATM (0.56) ATMAPPACECYP3A4CTSS
SCHEMBL5408479 0.83 ATM (0.54) ATMAPPACECYP3A4CTSS
SCHEMBL5744538 0.82 ATM (0.67) ATMAPPACECYP3A4CTSS
SCHEMBL5411660 0.82 ATM (0.67) ATMAPPACECYP3A4CTSS
SCHEMBL5411669 0.82 ATM (0.67) ATMAPPACECYP3A4CTSS
SCHEMBL9977212 0.82 ATM (0.58) ATMAPPACECYP3A4CTSS
SCHEMBL5914359 0.82 ATM (0.58) ATMAPPACECYP3A4CTSS
SCHEMBL5914369 0.82 ATM (0.58) ATMAPPACECYP3A4CTSS
SCHEMBL15159951 0.82 ATM (0.73) ATMAPPACECYP3A4CTSS
SCHEMBL5744515 0.82 ATM (0.60) ATMAPPACECYP3A4CTSS

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 2145/4885APP 1184/4885ACE 2817/4885

“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.