SCHEMBL4840733

SCHEMBL4840733

CN1CCC(N2CCN(C(=O)CN(C(=O)OCc3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ACHE P22303 2/20 0.46
CHRM5 P08912 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43
SIGMAR1 Q99720 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2C P18825 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL5868096 0.82 LTA4H (0.41) ACHECHRM5CHRM1CHRM3SIGMAR1
SCHEMBL6215877 0.80 ACHE (0.52) KDM4EALDH1A1ACHECHRM5CHRM1
SCHEMBL13361340 0.80 SMN1; SMN2 (0.60) KDM4EALDH1A1CHRM5CHRM1SIGMAR1
SCHEMBL6369665 0.80 ALDH1A1 (0.47) ALDH1A1CHRM5CHRM1CHRM3SIGMAR1
SCHEMBL4832645 0.78 CHRM2 (0.44) ALDH1A1CHRM5CHRM1CHRM3SIGMAR1
SCHEMBL4832630 0.78 ALDH1A1 (0.50) KDM4EALDH1A1ACHECHRM5CHRM1
SCHEMBL4842101 0.78 MEN1 (0.46) ACHECHRM1CHRM3CHRM2CHRM4
SCHEMBL9095901 0.78 CHRM1 (0.49) ALDH1A1CHRM5CHRM1CHRM3SIGMAR1
Hydrochloric Acid SCHEMBL4841000 0.77 KDM4E (0.49) KDM4EALDH1A1ACHECHRM5CHRM1
SCHEMBL6983158 0.77 CHRM1 (0.47) CHRM5CHRM1CHRM3SIGMAR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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 (4 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 KDM4E 3205/4885ALDH1A1 2408/4885ACHE 3190/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 KDM4E 712/4885ALDH1A1 2527/4885ACHE 1271/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885ALDH1A1 2261/4885ACHE 2174/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885ALDH1A1 2261/4885ACHE 2174/4885

“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.