SCHEMBL6434787

SCHEMBL6434787

CC(=O)O[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 13/20 0.63
F2 P00734 10/20 0.63
F7 P08709 7/20 0.53
F10 P00742 6/20 0.53
PRSS1 P07477 6/20 0.53
PRSS2 P07478 6/20 0.53
PRSS3 P35030 6/20 0.53
F12 P00748 3/20 0.53
F9 P00740 1/20 0.53
PRMT3 O60678 1/20 0.47
F3 P13726 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KLKB1 P03952 3/20 0.44
KLK1 P06870 3/20 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
SCHEMBL7708377 1.00 F11 (0.63) F11F2F7F10PRSS1
SCHEMBL28584967 0.89 F11 (0.57) F11F2F7F10PRSS1
SCHEMBL28584971 0.89 F11 (0.57) F11F2F7F10PRSS1
SCHEMBL28584977 0.89 F11 (0.57) F11F2F7F10PRSS1
SCHEMBL7711124 0.87 F11 (0.65) F11F2F7F10PRSS1
SCHEMBL6438863 0.87 F11 (0.65) F11F2F7F10PRSS1
SCHEMBL7708352 0.87 F11 (0.66) F11F2F7F10PRSS1
SCHEMBL6434959 0.87 F11 (0.66) F11F2F7F10PRSS1
SCHEMBL6435885 0.86 F11 (0.63) F11F2F7F10PRSS1
SCHEMBL6435882 0.86 F11 (0.63) F11F2F7F10PRSS1

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 F11 4/4885F2 1/4885F7 27/4885

“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.