SCHEMBL6344306

SCHEMBL6344306

O=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccccc1)N1CCC(Oc2ccccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
F10 P00742 8/20 0.40
KDM5A P29375 1/20 0.37
RIPK1 Q13546 1/20 0.36
BTK Q06187 1/20 0.36
JUN P05412 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
SCD O00767 2/20 0.35
AVPR1A P37288 1/20 0.35
CYP3A4 P08684 1/20 0.35
TTK P33981 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL6354907 0.92 EPHX2 (0.38) EPHX2F10KDM5ABTKJUN
SCHEMBL6354869 0.88 EPHX2 (0.41) EPHX2F10SCDCYP3A4TTK
SCHEMBL6347278 0.86 SPR (0.42) EPHX2F10JUNCDK2MAPK8
SCHEMBL6347242 0.85 KDM4E (0.43) EPHX2F10KDM5ARIPK1BTK
SCHEMBL6370687 0.84 F10 (0.34) F10AVPR1APLATKLKB1
SCHEMBL6421903 0.83 F10 (0.46) F10AVPR1APLATKLKB1
SCHEMBL6343706 0.83 EPHX2 (0.40) EPHX2F10JUNCDK2MAPK8
SCHEMBL6353524 0.82 KDM5A (0.39) EPHX2F10KDM5ARIPK1BTK
SCHEMBL6356499 0.82 SPR (0.46) EPHX2F10CYP3A4
Trifluoroacetic Acid SCHEMBL6978612 0.81 KDM4E (0.40) EPHX2F10KDM5ARIPK1SCD

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 6 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
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (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 1259/4885F10 69/4885KDM5A 3273/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 EPHX2 1576/4885F10 60/4885KDM5A 3475/4885

“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.