SCHEMBL5867974

SCHEMBL5867974

CN1CCC(CCNC(=O)CN(C(=O)OCc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
KCNH2 Q12809 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
ACHE P22303 7/20 0.43
BCHE P06276 4/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
CHRM2 P08172 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42

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
SCHEMBL5868015 0.89 CHRM4 (0.48) CHRM4KCNH2TPSAB1TPSD1TPSG1
SCHEMBL5868050 0.87 CHRM4 (0.44) CHRM4KCNH2TPSAB1TPSD1TPSG1
SCHEMBL5868106 0.87 KDM4E (0.49) CHRM4KEAP1NFE2L2TPSAB1TPSD1
SCHEMBL5868246 0.86 ITGB3 (0.44) CHRM4KCNH2CHRM5CHRM1CHRM3
SCHEMBL5868096 0.85 LTA4H (0.41) CHRM4KEAP1NFE2L2TPSAB1TPSD1
SCHEMBL5867967 0.79 OPRM1 (0.44) KCNH2ACHECHRM5CHRM1CHRM3
SCHEMBL5867867 0.78 KDM4E (0.57)
SCHEMBL5868070 0.77 SIGMAR1 (0.44) CHRM4KCNH2TPSAB1TPSD1TPSG1
SCHEMBL8623733 0.77 ALDH1A1 (0.45) TPSAB1
SCHEMBL19123759 0.75 KEAP1 (0.59) KEAP1NFE2L2TPSAB1TPSD1TPSG1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN CHRM4 4583/4885KEAP1 2597/4885NFE2L2 2103/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CHRM4 4737/4885KEAP1 2921/4885NFE2L2 2945/4885

“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.