SCHEMBL5406367

SCHEMBL5406367

CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
CTSS P25774 1/20 0.42
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
KLK5 Q9Y337 1/20 0.40
KCNK3 O14649 3/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5404753 1.00 CTSK (0.42) CTSKCTSSKMT2ACTSLKLK5
SCHEMBL5403570 0.83 ATM (0.53) CTSKCTSSCTSLKLK5
SCHEMBL6263984 0.81 CTSK (0.42) CTSKCTSSKMT2ACTSLKLK5
SCHEMBL20045534 0.79 HPGD (0.46) CTSKCTSSKMT2ACTSLMAPT
SCHEMBL5412025 0.78 CA1 (0.49) CTSKCTSSCTSL
SCHEMBL5416338 0.78 ATM (0.51) CTSKCTSSKMT2ACTSLKLK5
SCHEMBL5408458 0.78 ATM (0.51) CTSKCTSSKMT2ACTSLKLK5
SCHEMBL3182313 0.77 GPR88 (0.49) CTSKCTSSKMT2ACTSLNPC1
SCHEMBL3182322 0.77 GPR88 (0.49) CTSKCTSSKMT2ACTSLNPC1
SCHEMBL5406394 0.77 CTSK (0.47) CTSKCTSSKMT2AMAPTALDH1A1

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 CTSK 4240/4885CTSS 3490/4885KMT2A 650/4885

“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.