SCHEMBL6344507

SCHEMBL6344507

CC(C)(C)OC(=O)N(CC(=O)N1CCC(Oc2ccccn2)CC1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
LIPE Q05469 2/20 0.42
RBP4 P02753 1/20 0.41
KDM5A P29375 1/20 0.41
GPR119 Q8TDV5 9/20 0.41
RIPK1 Q13546 1/20 0.40
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 1/20 0.39
CACNB2 Q08289 1/20 0.39

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
SCHEMBL6354873 0.89 EPHX2 (0.44) EPHX2LIPERBP4GPR119
SCHEMBL6347285 0.80 POLB (0.51) EPHX2POLB
SCHEMBL1087898 0.79 GPR119 (0.62) EPHX2RBP4KDM5AGPR119CACNB4
SCHEMBL29749275 0.79 GPR119 (0.62) EPHX2RBP4KDM5AGPR119CACNB4
SCHEMBL6347296 0.78 SIGLEC9 (0.49) EPHX2GPR119
SCHEMBL6353247 0.77 GPR119 (0.42) LIPEGPR119CACNB4CACNA1ACACNA1G
SCHEMBL6346040 0.76 KDM4E (0.43) EPHX2KDM5ARIPK1POLB
SCHEMBL4837016 0.76 POLB (0.49) POLB
SCHEMBL7490139 0.75 GPR119 (0.57) EPHX2RBP4GPR119CACNB4CACNA1A
SCHEMBL6353524 0.75 KDM5A (0.39) EPHX2KDM5ARIPK1

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-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 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 (2 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 EPHX2 1259/4885LIPE 82/4885RBP4 1167/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 EPHX2 1576/4885LIPE 116/4885RBP4 1450/4885

“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.