SCHEMBL6439668

SCHEMBL6439668

O=C(O)C1CCCN1C(=O)CC1c2ccccc2-c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.62
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRSS1 P07477 1/20 0.48
ACE P12821 6/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA5 P08648 1/20 0.48
ITGA4 P13612 1/20 0.48
TSHR P16473 1/20 0.48
PREP P48147 2/20 0.46
ACE2 Q9BYF1 2/20 0.45

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
SCHEMBL6439663 1.00 F2 (0.62) F2ALDH1A1SMN1; SMN2PRSS1ACE
SCHEMBL21895850 0.87 ACE (0.52) F2ALDH1A1SMN1; SMN2ACECHRM2
SCHEMBL119560 0.82 ALDH1A1 (0.58) F2ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL29549607 0.82 ALDH1A1 (0.58) F2ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL30564473 0.82 ALDH1A1 (0.58) F2ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL118354 0.82 ALDH1A1 (0.58) F2ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL1002927 0.82 ALDH1A1 (0.58) F2ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL29503770 0.82 ALDH1A1 (0.58) F2ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL29503800 0.82 ALDH1A1 (0.58) F2ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL29378245 0.82 ALDH1A1 (0.58) F2ALDH1A1SMN1; SMN2ACEITGB3

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 F2 1/4885ALDH1A1 170/4885SMN1; SMN2 2799/4885

“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.