SCHEMBL6354869

SCHEMBL6354869

O=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccccc1)N1CCC(Oc2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2J2 P51589 4/20 0.41
F10 P00742 9/20 0.40
CYP3A4 P08684 1/20 0.40
TTK P33981 1/20 0.40
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL6347278 0.91 SPR (0.42) EPHX2CYP2C9CYP2J2F10CYP3A4
SCHEMBL6343706 0.90 EPHX2 (0.40) EPHX2CYP2C9CYP2J2F10CYP3A4
SCHEMBL6344306 0.88 EPHX2 (0.40) EPHX2F10CYP3A4TTKPLAT
SCHEMBL6356499 0.87 SPR (0.46) EPHX2F10CYP3A4
SCHEMBL6341778 0.85 EPHX2 (0.42) EPHX2CYP2C9CYP2J2F10CYP3A4
Hydrochloric Acid SCHEMBL6344658 0.84 EPHX2 (0.41) EPHX2CYP2C9CYP2J2F10CYP3A4
SCHEMBL6421903 0.84 F10 (0.46) F10ACHEPLATKLKB1
SCHEMBL6370317 0.83 ACHE (0.34) EPHX2CYP2C9CYP2J2F10ACHE
SCHEMBL4839906 0.82 THRB (0.45) F10ACHE
Hydrochloric Acid SCHEMBL4842289 0.82 THRB (0.44) F10ACHE

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 1259/4885CYP2C9 2462/4885CYP2J2 2186/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 EPHX2 1576/4885CYP2C9 2235/4885CYP2J2 2378/4885

“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.