SCHEMBL6078115

SCHEMBL6078115

N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-c1cnsn1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.57
PRSS1 P07477 5/20 0.49
PLAT P00750 1/20 0.49
F10 P00742 4/20 0.49
PRSS2 P07478 4/20 0.49
PRSS3 P35030 4/20 0.49
F12 P00748 2/20 0.48
F7 P08709 2/20 0.48

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
Hydrochloric Acid SCHEMBL6077890 0.99 F2 (0.56) F2PRSS1PLATF10PRSS2
SCHEMBL6077117 0.86 F2 (0.57) F2PRSS1PLATF10PRSS2
SCHEMBL6077999 0.86 F2 (0.57) F2PRSS1PLATF10PRSS2
SCHEMBL6079124 0.86 F2 (0.57) F2PRSS1PLATF10PRSS2
Hydrochloric Acid SCHEMBL6078360 0.86 F2 (0.57) F2PRSS1PLATF10PRSS2
SCHEMBL6078132 0.85 F2 (0.51) F2PRSS1PLATF10PRSS2
SCHEMBL6927346 0.81 F2 (0.83) F2PRSS1F10PRSS2PRSS3
SCHEMBL7594533 0.79 F2 (0.66) F2PRSS1PLATF10PRSS2
SCHEMBL6924394 0.79 F2 (0.68) F2PRSS1PLATF10PRSS2
SCHEMBL12463685 0.78 F2 (0.61) F2PRSS1PLATF10PRSS2

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 3 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
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885PRSS1 106/4885PLAT 16/4885

“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.