SCHEMBL6345789

SCHEMBL6345789

O=C(CNc1ccccc1)N1CCC(Nc2cccnc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.56
▸ SIGLEC9 Q9Y336 2/20 0.55
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ C3AR1 Q16581 6/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.46

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
SCHEMBL6346302 0.89 NOS2 (0.51) EPHX2SIGLEC9CYP3A4CYP2D6CYP2C9
SCHEMBL6355548 0.88 CYP2D6 (0.48) EPHX2CYP2D6CYP2C9GRIN2BEGLN1
SCHEMBL6343564 0.81 NOS2 (0.61) EPHX2GRIN2BEGLN1
SCHEMBL7368825 0.80 EPHX2 (0.59) EPHX2CYP3A4CYP2D6CYP2C9GRIN2B
SCHEMBL23013331 0.80 SIGLEC9 (0.57) EPHX2SIGLEC9CYP3A4CYP2D6CYP2C9
SCHEMBL23013515 0.80 SIGLEC9 (0.57) EPHX2SIGLEC9CYP3A4CYP2D6CYP2C9
SCHEMBL6985709 0.79 SIGLEC9 (0.45) EPHX2SIGLEC9
SCHEMBL4836752 0.78 KDM4E (0.54) C3AR1
SCHEMBL6987185 0.77 SIGLEC9 (0.45) EPHX2SIGLEC9C3AR1
SCHEMBL13039588 0.76 CXCR3 (0.49) CYP3A4CYP2D6CYP2C9GRIN2B

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 1259/4885SIGLEC9 667/4885CYP3A4 3044/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 EPHX2 1576/4885SIGLEC9 925/4885CYP3A4 2553/4885

“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.

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