SCHEMBL6436662

SCHEMBL6436662

CC(C)(C)OC(=O)CNC(C(=O)N1CCCC1C(=O)NCc1cc2c(N)nccc2s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.41
F11 P03951 4/20 0.41
FAP Q12884 1/20 0.40
F10 P00742 3/20 0.39
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
ALDH1A1 P00352 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CMA1 P23946 1/20 0.36
ELANE P08246 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL6436664 1.00 F2 (0.41) F2F11FAPF10F7
SCHEMBL6439832 0.96 F2 (0.36) F2F11FAPF10F7
SCHEMBL7699519 0.96 F2 (0.36) F2F11FAPF10F7
SCHEMBL6439829 0.96 F2 (0.36) F2F11FAPF10F7
SCHEMBL6438912 0.90 KCNH2 (0.45) F2F11F10F7F3
SCHEMBL6438909 0.90 KCNH2 (0.45) F2F11F10F7F3
SCHEMBL6437401 0.87 F2 (0.44) F2F11FAPF10F7
SCHEMBL6437403 0.87 F2 (0.44) F2F11FAPF10F7
SCHEMBL6436260 0.83 F2 (0.47) F2F11F10F7PRSS1
SCHEMBL6436257 0.83 F2 (0.47) F2F11F10F7PRSS1

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 1/4885F11 4/4885FAP 1632/4885

“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.