SCHEMBL5868024

SCHEMBL5868024

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.58
GPR119 Q8TDV5 4/20 0.52
ACHE P22303 2/20 0.51
TGFBR1 P36897 2/20 0.49
SLC2A1 P11166 1/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LIMK2 P53671 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
FAAH O00519 1/20 0.45
STS P08842 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP30 Q70CQ3 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
SCHEMBL5867906 0.88 ALDH1A1 (0.54) KDM4EPKMGPR119ACHESLC2A1
SCHEMBL5867951 0.86 ACHE (0.55) KDM4EACHEALDH1A1FAAHMAPT
SCHEMBL5868258 0.84 ACHE (0.58) ACHEFAAH
SCHEMBL5867969 0.84 ACHE (0.52) KDM4EACHEALDH1A1FAAHMAPT
SCHEMBL5868205 0.83 KDM4E (0.53) KDM4EPKMGPR119TGFBR1LIMK2
SCHEMBL5867913 0.83 ACHE (0.50) KDM4EACHEALDH1A1FAAHMAPT
SCHEMBL5867904 0.83 ACHE (0.72) ACHEFAAHSMN1; SMN2
SCHEMBL5868124 0.83 ACHE (0.52) KDM4EACHELMNAALDH1A1FAAH
SCHEMBL4837336 0.83 ACHE (0.52) KDM4EPKMGPR119ACHETGFBR1
SCHEMBL4842090 0.82 GPR119 (0.53) KDM4EGPR119ACHESLC2A1LMNA

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 14 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
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 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-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-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 KDM4E 2936/4885PKM 1204/4885GPR119 2788/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885PKM 2089/4885GPR119 2989/4885
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 KDM4E 712/4885PKM 1905/4885GPR119 3347/4885

“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.