SCHEMBL5867951

SCHEMBL5867951

COc1ccc(C(=O)N(CC(=O)NCC2CCN(C)CC2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.55
CHRM5 P08912 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
FAAH O00519 1/20 0.50
PTGIR P43119 2/20 0.47
HTR2A P28223 1/20 0.47
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
OPRM1 P35372 1/20 0.43
GSK3B P49841 1/20 0.43
TSHR P16473 1/20 0.43
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CXCR3 P49682 1/20 0.43

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
SCHEMBL5868258 0.90 ACHE (0.58) ACHECHRM3FAAHPTGIRHSD17B10
SCHEMBL5867969 0.89 ACHE (0.52) ACHEFAAHPTGIRHSD17B10KDM4E
SCHEMBL5867913 0.89 ACHE (0.50) ACHECHRM5CHRM1CHRM3FAAH
SCHEMBL5867904 0.89 ACHE (0.72) ACHECHRM3FAAHBACE1
SCHEMBL5868124 0.89 ACHE (0.52) ACHECHRM1CHRM3FAAHPTGIR
SCHEMBL5867979 0.88 ACHE (0.51) ACHECHRM1CHRM3FAAHPTGIR
SCHEMBL5868059 0.88 ACHE (0.51) ACHEFAAHPTGIRHSD17B10KDM4E
SCHEMBL5867983 0.87 ACHE (0.54) ACHEFAAHPTGIRHSD17B10ALDH1A1
SCHEMBL5868101 0.87 ACHE (0.50) ACHEFAAHPTGIRHSD17B10OPRM1
SCHEMBL5867956 0.87 ACHE (0.48) ACHEFAAHPTGIRHSD17B10KDM4E

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 9 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
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 (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 ACHE 2079/4885CHRM5 3977/4885CHRM1 2252/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885CHRM5 4394/4885CHRM1 2784/4885
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 ACHE 1271/4885CHRM5 1565/4885CHRM1 840/4885

“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.