SCHEMBL5868096

SCHEMBL5868096

CN1CCC(N2CCC(CNC(=O)CN(C(=O)OCc3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
CHRM1 P11229 5/20 0.40
CHRM3 P20309 5/20 0.40
CHRM5 P08912 4/20 0.40
CHRM2 P08172 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GRIN2B Q13224 3/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
FAAH O00519 1/20 0.39
ACHE P22303 1/20 0.39
CHRM4 P08173 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL5868070 0.92 SIGMAR1 (0.44) LTA4HCHRM1CHRM3CHRM5CHRM2
SCHEMBL5867974 0.85 CHRM4 (0.46) LTA4HCHRM1CHRM3CHRM5CHRM2
SCHEMBL5867967 0.84 OPRM1 (0.44) LTA4HCHRM1CHRM3CHRM5CHRM2
SCHEMBL5868050 0.82 CHRM4 (0.44) LTA4HCHRM1CHRM3CHRM5CHRM2
SCHEMBL4840733 0.82 KDM4E (0.46) CHRM1CHRM3CHRM5CHRM2SIGMAR1
SCHEMBL5867867 0.81 KDM4E (0.57) GRIN2BCYP2D6CYP2C9
SCHEMBL5868136 0.80 KDM1A (0.45) CHRM1CHRM3CHRM5CHRM2F2
SCHEMBL5867995 0.80 GRIN2B (0.48) GRIN2BACHECHRM4CYP2D6CYP2C9
SCHEMBL5868015 0.75 CHRM4 (0.48) ACHECHRM4TPSAB1TPSD1TPSG1
SCHEMBL8623733 0.74 ALDH1A1 (0.45) PRSS1TPSAB1

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 LTA4H 195/4885SLC6A5 3861/4885CHRM1 2252/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 LTA4H 191/4885SLC6A5 3837/4885CHRM1 2784/4885

“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.