SCHEMBL5868070

SCHEMBL5868070

O=C(CN(C(=O)OCc1ccccc1)c1ccccc1)NCC1CCN(C2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
HRH3 Q9Y5N1 4/20 0.43
KCNH2 Q12809 1/20 0.42
CHRM5 P08912 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TMEM97 Q5BJF2 4/20 0.41
HTR1A P08908 2/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
ADRA2C P18825 1/20 0.41
GRIN2B Q13224 2/20 0.40
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 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
SCHEMBL5868096 0.92 LTA4H (0.41) SIGMAR1CHRM5CHRM2CHRM1CHRM3
SCHEMBL5868050 0.90 CHRM4 (0.44) SIGMAR1HRH3KCNH2CHRM5CHRM2
SCHEMBL5867967 0.84 OPRM1 (0.44) HRH3KCNH2CHRM5CHRM2CHRM1
SCHEMBL5868136 0.83 KDM1A (0.45) CHRM5CHRM2CHRM1CHRM3MEN1
SCHEMBL5867995 0.82 GRIN2B (0.48) GRIN2BALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL5867867 0.81 KDM4E (0.57) GRIN2BKDM4ECYP2D6CYP2C9
SCHEMBL5868171 0.78 SIGMAR1 (0.44) SIGMAR1HRH3KCNH2CHRM5CHRM2
SCHEMBL5868124 0.78 ACHE (0.52) HRH3CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL5867979 0.77 ACHE (0.51) HRH3CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL5867974 0.77 CHRM4 (0.46) KCNH2CHRM5CHRM2CHRM1CHRM3

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 13 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-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-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
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-2001096303-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 (3 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 SIGMAR1 3447/4885HRH3 3734/4885KCNH2 3828/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885HRH3 3417/4885KCNH2 3744/4885
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 SIGMAR1 2485/4885HRH3 215/4885KCNH2 4175/4885

“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.