SCHEMBL5406797

SCHEMBL5406797

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.43
ACE P12821 2/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 1/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KLK5 Q9Y337 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
REN P00797 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
SCHEMBL5404145 1.00 ATM (0.43) ATMACECTSSCTSLCTSK
SCHEMBL5418476 0.90 CACNA1B (0.41) CTSKKMT2AALDH1A1KLK5L3MBTL1
SCHEMBL5406668 0.89 CTSL (0.46) ACECTSSCTSLCTSKCTSB
SCHEMBL5411880 0.81 ATM (0.45) ATMACECTSSCTSLCTSK
SCHEMBL5408433 0.81 ATM (0.47) ATMACECTSSCTSLCTSK
SCHEMBL5403799 0.81 CTSS (0.53) ATMACECTSSCTSLCTSK
SCHEMBL5416243 0.81 ATM (0.47) ATMACECTSSCTSLCTSK
SCHEMBL2736190 0.80 ATM (0.61) ATMACECTSSCTSLCTSK
SCHEMBL12137049 0.80 ATM (0.61) ATMACECTSSCTSLCTSK
SCHEMBL5403570 0.79 ATM (0.53) ATMACECTSSCTSLCTSK

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 2817/4885CTSS 3490/4885

“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.