SCHEMBL8358451

SCHEMBL8358451

N[C@@H](CCNCc1ccc2ccccc2n1)C(=O)N1CCSCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
DPP7 Q9UHL4 11/20 0.45
CYP1A2 P05177 1/20 0.42
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
FAAH O00519 2/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
Hydrochloric Acid SCHEMBL6607738 0.99 DPP4 (0.45) DPP4DPP7CYP1A2DPP8DPP9
SCHEMBL8361664 0.89 DPP7 (0.57) DPP4DPP7CYP1A2DPP8DPP9
Hydrochloric Acid SCHEMBL4911332 0.88 DPP7 (0.56) DPP4DPP7CYP1A2DPP8DPP9
Hydrochloric Acid SCHEMBL4911337 0.88 DPP7 (0.56) DPP4DPP7CYP1A2DPP8DPP9
SCHEMBL5872265 0.87 DPP4 (0.54) DPP4DPP7DPP8DPP9HDAC1
Hydrochloric Acid SCHEMBL5871551 0.86 DPP4 (0.53) DPP4DPP7DPP8DPP9HDAC1
SCHEMBL4907306 0.80 TGM2 (0.41) HDAC1
Hydrochloric Acid SCHEMBL6607735 0.73 HDAC1 (0.37) CYP1A2FAAHHDAC1HDAC2HDAC8
SCHEMBL5871953 0.71 TGM2 (0.44) DPP4DPP7DPP8DPP9HDAC1
SCHEMBL4915020 0.69 TGM2 (0.42) DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 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-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 DPP4 3/4885DPP7 7/4885CYP1A2 1603/4885

“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.