SCHEMBL6436634

SCHEMBL6436634

CCOC(=O)CN[C@H](Cc1ccc(OC)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.60
F11 P03951 10/20 0.60
F10 P00742 6/20 0.48
KLKB1 P03952 2/20 0.46
KLK1 P06870 2/20 0.46
PRSS1 P07477 4/20 0.45
F7 P08709 4/20 0.45
F12 P00748 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
F9 P00740 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.44
F3 P13726 1/20 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
Hydrochloric Acid SCHEMBL6436633 0.99 F2 (0.59) F2F11F10KLKB1KLK1
Hydrochloric Acid SCHEMBL6436630 0.99 F2 (0.59) F2F11F10KLKB1KLK1
SCHEMBL12998201 0.95 F11 (0.58) F2F11F10KLKB1KLK1
Hydrochloric Acid SCHEMBL3751604 0.94 F11 (0.58) F2F11F10KLKB1KLK1
SCHEMBL6436846 0.92 F11 (0.63) F2F11F10KLKB1KLK1
SCHEMBL6436848 0.92 F11 (0.63) F2F11F10KLKB1KLK1
SCHEMBL6437218 0.90 F11 (0.61) F2F11F10KLKB1KLK1
SCHEMBL6437215 0.90 F11 (0.61) F2F11F10KLKB1KLK1
SCHEMBL12998200 0.88 F11 (0.60) F2F11F10KLKB1KLK1
SCHEMBL7707887 0.88 F2 (0.61) F2F11F10KLKB1KLK1

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 5 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

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 4/4885F10 12/4885

“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.