SCHEMBL6486760

SCHEMBL6486760

N=C(N)c1ccc(CNC(=O)[C@]2(C3CCCCC3)CCCN2C(=O)CN)cc1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
F7 P08709 1/20 0.38
ERCC1 P07992 3/20 0.36
ERCC4 Q92889 3/20 0.36
F2 P00734 13/20 0.35
TAOK1 Q7L7X3 1/20 0.32
TAOK3 Q9H2K8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32

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
SCHEMBL6483107 0.90 TAOK1 (0.38) PRSS1PRSS2PRSS3F7F2
Hydrochloric Acid SCHEMBL6476718 0.83 CFD (0.32) F7F2
SCHEMBL6483869 0.83 F2 (0.35) PRSS1PRSS2PRSS3F2TPSAB1
SCHEMBL6475472 0.79 F2 (0.35) PRSS1PRSS2PRSS3F2TPSAB1
SCHEMBL6487727 0.77 F2 (0.36) PRSS1F2
SCHEMBL6476147 0.75 F2 (0.36) PRSS1F7F2
SCHEMBL6476971 0.75 F10 (0.38) PRSS1F2
SCHEMBL6477095 0.72 F2 (0.38) F7F2
SCHEMBL7047178 0.71 F2 (0.48) PRSS1PRSS2PRSS3F7F2
SCHEMBL8933084 0.71 F2 (0.33) F7F2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552038-B1 For use as thrombin inhibitors, coagulation inhibitors and agents for therapy of thromboembolic disorders ELI LILLY AND COMPANY 2003-04-22 US claimed
EP-0816376-B1 Trombin inhibitors as anticoagulant agents LILLY CO ELI (US) 2002-11-06 EP claimed
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
EP-0816376-B1 Trombin inhibitors as anticoagulant agents LILLY CO ELI (US) 2002-11-06 EP disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
EP-1110968-A1 Thrombininhibitors as anticoagulant agents Eli Lilly & Company (US) 2001-06-27 EP disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 PRSS1 53/4885PRSS2 99/4885PRSS3 147/4885

“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.