SCHEMBL6435407

SCHEMBL6435407

O=C(O)[C@@H]1CCN1C(=O)CNCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.61
TAAR1 Q96RJ0 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
DPP7 Q9UHL4 3/20 0.51
DPP8 Q6V1X1 2/20 0.51
ACE P12821 5/20 0.50
ACE2 Q9BYF1 2/20 0.50
AGTR2 P50052 1/20 0.46
PREP P48147 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL7428516 1.00 DPP4 (0.61) DPP4TAAR1ALDH1A1KDM4EDPP7
SCHEMBL6442160 0.92 DPP4 (0.69) DPP4TAAR1ALDH1A1KDM4EDPP7
SCHEMBL7423021 0.92 DPP4 (0.69) DPP4TAAR1ALDH1A1KDM4EDPP7
SCHEMBL6437760 0.91 DPP4 (0.64) DPP4TAAR1ALDH1A1KDM4EDPP7
SCHEMBL6436557 0.86 DPP4 (0.61) DPP4ALDH1A1KDM4EDPP7DPP8
SCHEMBL6782785 0.78 DPP4 (0.69) DPP4DPP7DPP8ACEACE2
SCHEMBL6438881 0.78 DPP4 (0.69) DPP4DPP7DPP8ACEACE2
SCHEMBL7423200 0.78 DPP4 (0.69) DPP4DPP7DPP8ACEACE2
SCHEMBL6439098 0.77 DPP4 (0.64) DPP4DPP7DPP8ACEACE2
SCHEMBL6436770 0.77 DPP4 (0.46) DPP4ALDH1A1KDM4EACEACE2

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 1413/4885TAAR1 2754/4885ALDH1A1 170/4885

“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.