SCHEMBL5403561

SCHEMBL5403561

CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN1CCCC1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.54
ATM Q13315 1/20 0.53
AKT1 P31749 1/20 0.50
DRD2 P14416 1/20 0.46
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
APP P05067 1/20 0.45
CYP3A4 P08684 4/20 0.44
KLK5 Q9Y337 2/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL5408453 0.90 ATM (0.51) SIRT5ATMAKT1DRD2CTSS
SCHEMBL5416328 0.90 ATM (0.51) SIRT5ATMAKT1DRD2CTSS
SCHEMBL6249227 0.90 ATM (0.51) SIRT5ATMAKT1DRD2CTSS
SCHEMBL16019025 0.88 SYK (0.48) SIRT5ATMAKT1DRD2CTSS
SCHEMBL5403794 0.83 AKT1 (0.71) AKT1CTSSCTSLCTSBCTSK
SCHEMBL5406355 0.83 RAB9A (0.50) AKT1DRD2CTSSCTSKSIGMAR1
SCHEMBL5404729 0.83 RAB9A (0.50) AKT1DRD2CTSSCTSKSIGMAR1
SCHEMBL6247373 0.82 MMP1 (0.45) DRD2CTSSCTSLCTSBCTSK
SCHEMBL31404216 0.82 ATM (0.60) ATMAKT1CTSSCTSLCTSB
SCHEMBL30757694 0.82 ATM (0.60) ATMAKT1CTSSCTSLCTSB

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 SIRT5 3374/4885ATM 2145/4885AKT1 3433/4885

“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.