SCHEMBL13409461

SCHEMBL13409461

N=C(N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
DPP8 Q6V1X1 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
F2 P00734 3/20 0.46
F10 P00742 2/20 0.42
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
TGM2 P21980 2/20 0.42
ACE P12821 1/20 0.42
DPP7 Q9UHL4 2/20 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
SCHEMBL8263227 0.89 DPP4 (0.58) DPP4DPP8HDAC3HDAC4HDAC1
SCHEMBL1443345 0.86 ACE (0.54) DPP4DPP8HDAC3HDAC4HDAC1
SCHEMBL8230028 0.86 ACE (0.54) DPP4DPP8HDAC3HDAC4HDAC1
SCHEMBL13475725 0.86 ACE (0.54) DPP4DPP8HDAC3HDAC4HDAC1
SCHEMBL8264388 0.85 ACE (0.47) DPP4DPP8HDAC3HDAC4HDAC1
SCHEMBL29872221 0.82 DPP4 (0.52) DPP4DPP8TGM2ACEDPP7
SCHEMBL13475726 0.82 PREP (0.57) F2ACE
SCHEMBL13409456 0.82 PREP (0.57) F2ACE
SCHEMBL8230460 0.81 PRSS8 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24131386 0.81 F2 (0.55) F2PRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099721-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROBIODRUG AG (DE) 2010-04-22 US disclosed
US-20100099721-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROBIODRUG AG (DE) 2010-04-22 US disclosed
US-7667044-B2 treating nervous system diorders such as Alzheimer's disease, Down Syndrome, Parkinson disease and Huntington chorea by administering inhibitors of prolyl endopeptidases PROBIODRUG AG (DE) 2010-02-23 US disclosed
US-7667044-B2 treating nervous system diorders such as Alzheimer's disease, Down Syndrome, Parkinson disease and Huntington chorea by administering inhibitors of prolyl endopeptidases PROBIODRUG AG (DE) 2010-02-23 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-20100099721-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PREP, BACE1, BCHE DPP4 148/4885DPP8 259/4885HDAC3 416/4885

“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.