SCHEMBL6475562

SCHEMBL6475562

N=C(N)c1ccc(CNC(=O)[C@]2(C3CCCCC3)CCCN2C(=O)CNCC(=O)O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.38
P2RX7 Q99572 3/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
PROC P04070 3/20 0.35
F10 P00742 2/20 0.35
F7 P08709 1/20 0.35
EPHX2 P34913 2/20 0.34
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL6477095 0.91 F2 (0.38) F2ITGB3ITGA2BPROCF10
SCHEMBL6483104 0.88 PDE4A (0.38) F2ITGB3ITGA2BPROCF10
SCHEMBL7047781 0.88 PDE4A (0.38) F2ITGB3ITGA2BPROCF10
SCHEMBL8933063 0.85 P2RX7 (0.34) F2P2RX7EPHX2
SCHEMBL6476355 0.83 F10 (0.38) F2ITGB3ITGA2BPROCF10
SCHEMBL6476879 0.80 F2 (0.40) F2PROCF10F7
SCHEMBL6476971 0.80 F10 (0.38) F2ITGB3ITGA2BF10
SCHEMBL6483869 0.80 F2 (0.35) F2ITGB3ITGA2BF10
SCHEMBL6475472 0.79 F2 (0.35) F2ITGB3ITGA2B
SCHEMBL7049353 0.79 F2 (0.35) F2F10F7EPHX2

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 F2 5/4885P2RX7 4162/4885ITGB3 1031/4885

“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.