SCHEMBL6436770

SCHEMBL6436770

O=C(O)[C@@H]1CCN1C(=O)CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
ACE P12821 7/20 0.43
ACE2 Q9BYF1 3/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGA4 P13612 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL6438383 0.91 ACE (0.53) DPP4ACEACE2ALDH1A1SMN1; SMN2
SCHEMBL6436570 0.90 ACE (0.49) DPP4ACEACE2ALDH1A1SMN1; SMN2
SCHEMBL5544779 0.85 THRB (0.55) DPP4ACEACE2ALDH1A1SMN1; SMN2
SCHEMBL6792962 0.85 THRB (0.55) DPP4ACEACE2ALDH1A1SMN1; SMN2
SCHEMBL13071509 0.80 DPP4 (0.57) DPP4ACEKDM4E
SCHEMBL6436557 0.79 DPP4 (0.61) DPP4ACEACE2ALDH1A1KDM4E
SCHEMBL13250828 0.79 THRB (0.49) ACEACE2ALDH1A1SMN1; SMN2ITGB3
Trifluoroacetic Acid SCHEMBL6786573 0.78 THRB (0.51) DPP4ACEACE2CHRM3ITGB3
SCHEMBL13071856 0.78 DPP4 (0.49) DPP4ACEALDH1A1SMN1; SMN2HTT
SCHEMBL6435407 0.77 DPP4 (0.61) DPP4ACEACE2ALDH1A1KDM4E

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 6 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

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 1413/4885ACE 234/4885ACE2 370/4885

“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.