SCHEMBL6910780

SCHEMBL6910780

COc1ccc(C[C@@H](N)C(=O)N2CCC[C@@H]2OC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.66
DPP8 Q6V1X1 13/20 0.66
DPP9 Q86TI2 13/20 0.66
DPP7 Q9UHL4 13/20 0.66
FAP Q12884 10/20 0.66

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
SCHEMBL6437755 0.84 DPP4 (0.69) DPP4DPP8DPP9DPP7FAP
SCHEMBL6437757 0.84 DPP4 (0.69) DPP4DPP8DPP9DPP7FAP
SCHEMBL8881323 0.81 DPP4 (0.55) DPP4DPP8DPP9DPP7FAP
SCHEMBL6439142 0.79 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL6439141 0.79 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL10961420 0.77 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP
SCHEMBL8366666 0.77 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP
SCHEMBL14311579 0.76 DPP7 (0.61) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6436808 0.76 DPP4 (0.58) DPP4DPP8DPP9DPP7FAP
SCHEMBL10512195 0.76 ACE (0.57) DPP4DPP8DPP9DPP7FAP

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-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 DPP4 1413/4885DPP8 1777/4885DPP9 1063/4885

“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.