SCHEMBL6476879

SCHEMBL6476879

COc1cc(C(=N)N)ccc1CNC(=O)[C@]1(C2CCCCC2)CCCN1C(=O)CNCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.40
CTSD P07339 1/20 0.37
F10 P00742 2/20 0.37
F7 P08709 3/20 0.36
PRSS1 P07477 1/20 0.36
PDE4B Q07343 1/20 0.36
PLG P00747 1/20 0.36
F11 P03951 1/20 0.36
PROC P04070 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
SCHEMBL6483104 0.92 PDE4A (0.38) F2F10F7PRSS1PDE4B
SCHEMBL7047781 0.92 PDE4A (0.38) F2F10F7PRSS1PDE4B
SCHEMBL6476355 0.90 F10 (0.38) F2F10PRSS1PDE4BPROC
SCHEMBL6487727 0.88 F2 (0.36) F2F10PRSS1PDE4B
SCHEMBL6477345 0.87 F2 (0.35) F2F10F7PRSS1
SCHEMBL7049353 0.87 F2 (0.35) F2F10F7PRSS1
SCHEMBL8721666 0.84 F2 (0.35) F2F10PRSS1
SCHEMBL6484699 0.82 PROC (0.42) F2F10F7PRSS1PDE4B
SCHEMBL6487471 0.81 F2 (0.35) F2F10PRSS1PLG
SCHEMBL6476971 0.81 F10 (0.38) F2F10PRSS1

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
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
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US 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-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 F2 5/4885CTSD 573/4885F10 23/4885

“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.