SCHEMBL5868046

SCHEMBL5868046

COc1ccc(C(=O)N(CC(=O)NC2CCN(C3CCCC3)CC2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
ACHE P22303 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
ACKR3 P25106 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.44
EPHX2 P34913 1/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44

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
SCHEMBL5868095 0.99 HSD17B10 (0.60) HSD17B10ACHEHDAC1HDAC6SIGMAR1
SCHEMBL5868273 0.91 HSD17B10 (0.53) HSD17B10ACHEHDAC1HDAC6SIGMAR1
SCHEMBL5868124 0.87 ACHE (0.52) HSD17B10ACHELMNASMN1; SMN2ALDH1A1
SCHEMBL5867979 0.86 ACHE (0.51) HSD17B10ACHELMNASMN1; SMN2ALDH1A1
SCHEMBL4842187 0.83 ALDH1A1 (0.55) ACHEALDH1A1MAPTPTGIR
SCHEMBL5868195 0.83 HSD17B10 (0.54) HSD17B10ACHEHDAC1HDAC6SIGMAR1
SCHEMBL4840307 0.82 ALDH1A1 (0.57) HSD17B10ACHEALDH1A1CHRM2CHRM4
SCHEMBL5867906 0.82 ALDH1A1 (0.54) HSD17B10ACHESIGMAR1ALDH1A1
SCHEMBL5868053 0.80 HSD17B10 (0.50) HSD17B10HDAC1HDAC6ACKR3ALDH1A1
SCHEMBL6219313 0.79 ACHE (0.51) ACHEALDH1A1L3MBTL1CHRM2CHRM1

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 HSD17B10 1682/4885ACHE 2079/4885HDAC1 1235/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 HSD17B10 1208/4885ACHE 2174/4885HDAC1 1480/4885
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 HSD17B10 3287/4885ACHE 1271/4885HDAC1 2668/4885

“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.