SCHEMBL6214907

SCHEMBL6214907

COc1ccc(C(=O)N(CC(=O)N2CCC(=O)CC2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.48
BACE1 P56817 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PTGIR P43119 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 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
SCHEMBL4844230 0.86 ACHE (0.50) ACHEALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL6215237 0.85 ACHE (0.54) ACHEALDH1A1KDM4EHPGDTSHR
SCHEMBL4842118 0.84 ACHE (0.66) ACHEALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL6370380 0.84 ACHE (0.57) ACHEALDH1A1KDM4EHPGDTSHR
SCHEMBL6346963 0.84 ACHE (0.52) ACHEKDM4EHPGDTSHRMAPT
SCHEMBL6370819 0.83 ACHE (0.52) ACHEALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL6421231 0.83 ACHE (0.56) ACHEALDH1A1KDM4EHPGDTSHR
SCHEMBL4832831 0.83 KDM4E (0.48) ACHEALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL4842090 0.83 GPR119 (0.53) ACHEALDH1A1KDM4EHPGDTSHR
SCHEMBL6354271 0.83 ACHE (0.52) ACHEKDM4EHPGDTSHRMAPT

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
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 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-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096296-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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 ACHE 1821/4885ALDH1A1 3720/4885L3MBTL1 466/4885
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 1271/4885ALDH1A1 2527/4885L3MBTL1 229/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885ALDH1A1 2261/4885L3MBTL1 332/4885

“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.