SCHEMBL5867967

SCHEMBL5867967

CC(C)N1CCC(CNC(=O)CN(C(=O)OCc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GLS O94925 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR4 Q13639 1/20 0.41
FAAH O00519 1/20 0.41
ACHE P22303 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
GRIN2B Q13224 1/20 0.40
LTA4H P09960 1/20 0.40

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 0.90 CHRM4 (0.48) OPRM1KCNH2ACHE
SCHEMBL5868070 0.84 SIGMAR1 (0.44) KCNH2HRH3CHRM2CHRM5CHRM1
SCHEMBL5868096 0.84 LTA4H (0.41) CHRM2CHRM5CHRM1CHRM3FAAH
SCHEMBL5867867 0.83 KDM4E (0.57) GRIN2B
SCHEMBL5868136 0.83 KDM1A (0.45) CHRM2CHRM5CHRM1CHRM3F2
SCHEMBL5867995 0.82 GRIN2B (0.48) ACHEGRIN2B
SCHEMBL5867974 0.79 CHRM4 (0.46) KCNH2CHRM2CHRM5CHRM1CHRM3
SCHEMBL5867969 0.79 ACHE (0.52) FAAHACHE
SCHEMBL8623733 0.76 ALDH1A1 (0.45) PRSS1
SCHEMBL5868050 0.75 CHRM4 (0.44) KCNH2HRH3CHRM2CHRM5CHRM1

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 OPRM1 2707/4885KCNH2 3828/4885HRH3 3734/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 OPRM1 2692/4885KCNH2 3744/4885HRH3 3417/4885

“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.