SCHEMBL6483104

SCHEMBL6483104

COc1cc(C(=N)N)ccc1CNC(=O)[C@]1(C2CCCCCCC2)CCCN1C(=O)CNCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PROC P04070 2/20 0.37
F10 P00742 7/20 0.37
F2 P00734 8/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PRSS1 P07477 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F7 P08709 1/20 0.34
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL7047781 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPROC
SCHEMBL6476355 0.95 F10 (0.38) PDE4APDE4BPDE4CPDE4DPROC
SCHEMBL6476879 0.92 F2 (0.40) PDE4BPROCF10F2PRSS1
SCHEMBL7049353 0.90 F2 (0.35) F10F2SMN1; SMN2PRSS1MEN1
SCHEMBL6477345 0.90 F2 (0.35) F10F2SMN1; SMN2PRSS1MEN1
SCHEMBL6487727 0.90 F2 (0.36) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL6477095 0.89 F2 (0.38) PROCF10F2ITGB3ITGA2B
SCHEMBL6475562 0.88 F2 (0.38) PROCF10F2ITGB3ITGA2B
SCHEMBL6484699 0.87 PROC (0.42) PDE4APDE4BPDE4CPDE4DPROC
SCHEMBL8721666 0.86 F2 (0.35) F10F2PRSS1MEN1KMT2A

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 4 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

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 PDE4A 1145/4885PDE4B 1003/4885PDE4C 1206/4885

“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.