SCHEMBL5642154

SCHEMBL5642154

CC(C)(CN1CCCC1)c1ccc(N2CC(CNC(=O)c3cccc(C(=N)N)c3)CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.45
PRSS1 P07477 12/20 0.45
PRSS2 P07478 6/20 0.45
PRSS3 P35030 6/20 0.45
HPN P05981 2/20 0.45
HGFAC Q04756 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
TPSAB1 Q15661 4/20 0.42
F2 P00734 2/20 0.41
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
PLG P00747 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4587626 0.99 F10 (0.44) F10PRSS1PRSS2PRSS3HPN
SCHEMBL5640091 0.93 PRSS1 (0.43) F10PRSS1PRSS2PRSS3HPN
SCHEMBL5641828 0.87 TPSAB1 (0.44) F10PRSS1PRSS2PRSS3HPN
SCHEMBL5641859 0.86 F10 (0.41) F10PRSS1PRSS2PRSS3HPN
SCHEMBL5639756 0.86 BCHE (0.50)
SCHEMBL5640706 0.84 LMNA (0.50) F10PRSS1PRSS2PRSS3HPN
SCHEMBL4587696 0.83 F10 (0.42) F10PRSS1PRSS2PRSS3HPN
SCHEMBL5643104 0.83 BCHE (0.43) F10KCNH2CACNA1IALDH1A1
SCHEMBL5640468 0.82 F10 (0.48) F10ALDH1A1
SCHEMBL4588119 0.82 F10 (0.40) F10PRSS1PRSS2PRSS3HPN

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-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885PRSS1 9/4885PRSS2 24/4885

“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.