SCHEMBL6436648

SCHEMBL6436648

CC1CCN(C(=O)C(N)Cc2cc3c(N)nccc3s2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.61
PRSS1 P07477 8/20 0.61
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
CCR10 P46092 2/20 0.38
LNPEP Q9UIQ6 1/20 0.37
AKT1 P31749 1/20 0.36
HPGD P15428 1/20 0.36
CDK8 P49336 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRD1 P41143 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
Hydrochloric Acid SCHEMBL6454383 0.81 F2 (0.58) F2PRSS1CCR10
Hydrochloric Acid SCHEMBL7705276 0.78 F2 (0.55) F2PRSS1CCR10
Hydrochloric Acid SCHEMBL6454782 0.77 F2 (0.84) F2PRSS1
Hydrochloric Acid SCHEMBL6449384 0.77 F2 (0.40) F2PRSS1LNPEP
Hydrochloric Acid SCHEMBL6449385 0.76 F2 (0.99) F2PRSS1
SCHEMBL6454093 0.76 F2 (0.46) F2PRSS1LNPEP
SCHEMBL6459612 0.76 F2 (0.69) F2PRSS1CCR10
SCHEMBL6435328 0.76 F2 (0.77) F2PRSS1CCR10
Hydrochloric Acid SCHEMBL6454085 0.75 F2 (0.46) F2PRSS1LNPEP
Hydrochloric Acid SCHEMBL6759501 0.75 F2 (0.67) F2PRSS1CCR10

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 8 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
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO 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 1/4885PRSS1 857/4885HRH2 1346/4885

“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.