SCHEMBL6437871

SCHEMBL6437871

CCOC(=O)N[C@H](Cc1ccc(OC)cc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.57
ACE2 Q9BYF1 2/20 0.53
FKBP1A P62942 3/20 0.52
MMEL1 Q495T6 1/20 0.51
REN P00797 1/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL7428633 1.00 ACE (0.57) ACEACE2FKBP1AMMEL1REN
SCHEMBL6435921 0.90 ACE (0.59) ACEACE2FKBP1AALDH1A1TSHR
SCHEMBL7423233 0.90 ACE (0.59) ACEACE2FKBP1AALDH1A1TSHR
SCHEMBL25448062 0.90 ACE (0.57) ACEFKBP1A
SCHEMBL6435112 0.90 ACE (0.57) ACEFKBP1A
SCHEMBL7423817 0.89 ACE (0.56) ACEACE2FKBP1AMMEL1ALDH1A1
SCHEMBL6435613 0.89 ACE (0.56) ACEACE2FKBP1AMMEL1ALDH1A1
SCHEMBL6436631 0.88 ACE (0.58) ACEACE2TSHR
SCHEMBL6436629 0.88 ACE (0.58) ACEACE2TSHR
SCHEMBL18088488 0.88 ACE (0.60) ACEACE2RENALDH1A1CYP3A4

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 ACE 234/4885ACE2 370/4885FKBP1A 2551/4885

“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.