SCHEMBL5791818

SCHEMBL5791818

CC1=CCN(C(=O)[C@@H](N)CCC(N)=O)C1C#N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.40
DPP8 Q6V1X1 15/20 0.40
DPP7 Q9UHL4 13/20 0.40
DPP9 Q86TI2 7/20 0.39
FAP Q12884 5/20 0.39
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5788517 0.82 DPP4 (0.43) DPP4DPP8DPP7DPP9FAP
SCHEMBL5789129 0.80 DPP4 (0.44) DPP4DPP8DPP7DPP9FAP
SCHEMBL5787459 0.80 ALOX15 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL5790525 0.79 DPP4 (0.41) DPP4DPP8DPP7DPP9FAP
SCHEMBL5791858 0.79 DPP4 (0.40) DPP4DPP8DPP7DPP9FAP
SCHEMBL5790640 0.75 DPP4 (0.40) DPP4DPP8DPP7DPP9FAP
SCHEMBL6165300 0.73 DPP7 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL6492871 0.73 DPP7 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL7418737 0.73 DPP7 (0.39) DPP4DPP8DPP7DPP9FAP
SCHEMBL5790030 0.71 DPP4 (0.70) DPP4DPP8DPP7DPP9

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
EP-1622870-A2 GLUTAMINYL BASED DP IV-INHIBITORS Prosidion Ltd. (GB) 2006-02-08 EP disclosed
WO-2004099134-A2 GLUTAMINYL BASED DP IV-INHIBITORS PROSIDION LTD. (GB) 2004-11-18 WO disclosed
US-20040229848-A1 Glutaminyl based DP IV-inhibitors PROSIDION LIMITED (GB) 2004-11-18 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-20040229848-A1 Glutaminyl based DP IV-inhibitors DPP4, DPP3, DNPEP DPP4 1/4885DPP8 7/4885DPP7 5/4885

“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.