SCHEMBL5867979

SCHEMBL5867979

COc1ccc(C(=O)N(CC(=O)NCC2CCN(C3CCCCC3)CC2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
HSD17B10 Q99714 1/20 0.48
FAAH O00519 1/20 0.46
CHRM2 P08172 6/20 0.44
CHRM4 P08173 6/20 0.44
CHRM1 P11229 6/20 0.44
CHRM3 P20309 6/20 0.44
CCR3 P51677 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TACR1 P25103 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PTGIR P43119 2/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL5868124 0.99 ACHE (0.52) ACHEHSD17B10FAAHCHRM2CHRM4
SCHEMBL5868187 0.91 ACHE (0.49) ACHEHSD17B10FAAHCHRM2CHRM3
SCHEMBL5868304 0.91 ACHE (0.49) ACHEHSD17B10FAAHALDH1A1LMNA
SCHEMBL5867913 0.90 ACHE (0.50) ACHEHSD17B10FAAHCHRM1CHRM3
SCHEMBL5867983 0.88 ACHE (0.54) ACHEHSD17B10FAAHALDH1A1LMNA
SCHEMBL5867951 0.88 ACHE (0.55) ACHEHSD17B10FAAHCHRM1CHRM3
SCHEMBL5868095 0.87 HSD17B10 (0.60) ACHEHSD17B10CHRM2CHRM4CHRM1
SCHEMBL5868176 0.87 ACHE (0.44) ACHEFAAHCHRM2CHRM4CHRM1
SCHEMBL5868046 0.86 HSD17B10 (0.59) ACHEHSD17B10CHRM2CHRM4CHRM1
SCHEMBL5868258 0.86 ACHE (0.58) ACHEHSD17B10FAAHCHRM2CHRM3

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 ACHE 2079/4885HSD17B10 1682/4885FAAH 652/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885HSD17B10 1208/4885FAAH 563/4885
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 1271/4885HSD17B10 3287/4885FAAH 1027/4885

“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.