SCHEMBL6437755

SCHEMBL6437755

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

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.69
DPP8 Q6V1X1 12/20 0.69
DPP9 Q86TI2 12/20 0.69
DPP7 Q9UHL4 12/20 0.69
FAP Q12884 9/20 0.69
ACE P12821 2/20 0.55
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL6437757 1.00 DPP4 (0.69) DPP4DPP8DPP9DPP7FAP
SCHEMBL6439141 0.93 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL6439142 0.93 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL5336562 0.86 DPP4 (0.68) DPP4DPP8DPP9DPP7FAP
SCHEMBL7114188 0.86 DPP4 (0.68) DPP4DPP8DPP9DPP7FAP
SCHEMBL29477123 0.86 DPP4 (0.68) DPP4DPP8DPP9DPP7FAP
SCHEMBL6436643 0.86 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL3726263 0.86 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL3726264 0.86 ACE (0.70) DPP4DPP8DPP9DPP7FAP
SCHEMBL5900809 0.86 ACE (0.70) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
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
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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-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.