SCHEMBL6079032

SCHEMBL6079032

N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1ccnn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.54
PRSS1 P07477 5/20 0.48
F10 P00742 4/20 0.48
PRSS2 P07478 4/20 0.48
PRSS3 P35030 4/20 0.48
F12 P00748 2/20 0.47
F7 P08709 2/20 0.47
PLAT P00750 1/20 0.45

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
SCHEMBL6079110 0.97 F2 (0.51) F2PRSS1F10PRSS2PRSS3
SCHEMBL6078374 0.89 F2 (0.60) F2PRSS1F10PRSS2PRSS3
SCHEMBL6077392 0.83 F2 (0.61) F2PRSS1F10PRSS2PRSS3
SCHEMBL6079038 0.80 F11 (0.40) F2
SCHEMBL6077633 0.78 F2 (0.59) F2F12
SCHEMBL21067851 0.77 F2 (0.67) F2PRSS1F10PRSS2PRSS3
SCHEMBL21067854 0.77 F2 (0.67) F2PRSS1F10PRSS2PRSS3
SCHEMBL6079191 0.77 F2 (0.60) F2PRSS1F10PRSS2PRSS3
SCHEMBL6079772 0.76 F2 (0.50) F2PRSS1F10PRSS3F12
SCHEMBL6079120 0.76 F11 (0.42) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885PRSS1 106/4885F10 3/4885

“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.