SCHEMBL5868022

SCHEMBL5868022

CC(C)(C)OC(=O)N1CCC(NC(=O)CNc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
STS P08842 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL5867964 0.84 KDM4E (0.70) GPR119KDM4EPKMSTSTGFBR1
SCHEMBL2709640 0.82 ALDH1A1 (0.74) GPR119KDM4EPKMEPHX1ALDH1A1
SCHEMBL3087666 0.81 KDM4E (0.70) GPR119KDM4EPKMSTSTGFBR1
SCHEMBL4844156 0.81 GPR119 (0.55) GPR119KDM4EPKMALDH1A1NPC1
SCHEMBL6299819 0.81 KCNA3 (0.53) GPR119KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL21738867 0.81 EPHX1 (0.62) KMT2AMEN1KDM4EPKMEPHX1
SCHEMBL10268244 0.81 EPHX1 (0.65) GPR119KMT2AMEN1KDM4EPKM
SCHEMBL13199301 0.80 KDM4E (0.68) GPR119KMT2AMEN1KDM4EPKM
SCHEMBL307482 0.79 EPHX1 (0.63) GPR119KMT2AMEN1KDM4EPKM
SCHEMBL22315798 0.79 EPHX1 (0.59) GPR119KMT2AMEN1KDM4EPKM

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 GPR119 2788/4885KMT2A 3428/4885MEN1 1712/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 GPR119 2989/4885KMT2A 3308/4885MEN1 1959/4885
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 GPR119 3347/4885KMT2A 2126/4885MEN1 3229/4885

“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.