SCHEMBL5633667

SCHEMBL5633667

O=C(CO)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.39
DPP8 Q6V1X1 4/20 0.39
DPP9 Q86TI2 4/20 0.39
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
PRCP P42785 2/20 0.37
DPP7 Q9UHL4 2/20 0.35
FAP Q12884 1/20 0.35
ELANE P08246 1/20 0.35
HTR2C P28335 2/20 0.33
HTR2B P41595 1/20 0.33
SCN4A P35499 1/20 0.33

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
SCHEMBL542283 0.87 NOS2 (0.39) DPP4DPP8DPP9NOS2NOS3
SCHEMBL30265157 0.85 PRCP (0.44) DPP4DPP8DPP9NOS2NOS3
SCHEMBL9362980 0.85 PRCP (0.44) DPP4DPP8DPP9NOS2NOS3
SCHEMBL995604 0.84 NOS2 (0.46) DPP4DPP8DPP9NOS2NOS3
SCHEMBL6859669 0.84 NOS2 (0.46) DPP4DPP8DPP9NOS2NOS3
SCHEMBL146828 0.84 NOS2 (0.46) DPP4DPP8DPP9NOS2NOS3
SCHEMBL302682 0.84 NOS2 (0.41) DPP4DPP8DPP9NOS2NOS3
SCHEMBL20839704 0.84 PRCP (0.40) DPP4DPP8DPP9NOS2NOS3
SCHEMBL20839978 0.84 PRCP (0.40) DPP4DPP8DPP9NOS2NOS3
SCHEMBL3662902 0.84 NOS2 (0.37) DPP4DPP8DPP9NOS2NOS3

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
CN-113695370-B Natural eutectic ionic liquid and preparation method and application thereof 河北科技大学 2022-06-07 CN disclosed
CN-113695370-A Natural eutectic ionic liquid and preparation method and application thereof 河北科技大学 2021-11-26 CN disclosed
US-7205384-B2 Process for preparing peptidyl heterocyclic ketone derivatives ORTHO-MCNEIL PHARMACEUTICAL INC. (US) 2007-04-17 US disclosed
US-20050059607-A1 Process for preparing peptidyl heterocyclic ketone derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-17 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-20050059607-A1 Process for preparing peptidyl heterocyclic ketone derivatives CMA1, TPSB2, TPSAB1 DPP4 168/4885DPP8 222/4885DPP9 214/4885

“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.