SCHEMBL5868093

SCHEMBL5868093

CC(C)(C)OC(=O)N1CCC(NC(=O)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
PTPRB P23467 1/20 0.41
PTPN11 Q06124 1/20 0.41
USP30 Q70CQ3 3/20 0.40
PARP1 P09874 1/20 0.40
BTK Q06187 1/20 0.40
STS P08842 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
LIMK2 P53671 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5868205 0.89 KDM4E (0.53) KMT2AMEN1KDM4EPKMPTPRB
SCHEMBL5868257 0.84 SMYD3 (0.48) SMYD3KDM4EMAPT
SCHEMBL5867906 0.83 ALDH1A1 (0.54) KMT2AMEN1KDM4EPKMPTPRB
SCHEMBL5867874 0.81 SMYD3 (0.53) SMYD3KDM4EMAPT
SCHEMBL5867920 0.80 ACHE (0.47) SMYD3KDM4EMAPT
SCHEMBL6987491 0.78 PTPRB (0.45) KMT2AMEN1KDM4EPKMPTPRB
SCHEMBL5868120 0.76 KMT2A (0.52) KMT2AMEN1PTPRBPTPN11STS
SCHEMBL6422422 0.73 GHSR (0.44) SMYD3KMT2AMEN1KDM4EPOLB
SCHEMBL6341500 0.73 MAPK14 (0.43) SMYD3KDM4EPOLBMAPTMAPK1
SCHEMBL6344171 0.73 KDM4E (0.45) SMYD3KDM4EPOLBMAPTMAPK1

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-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 SMYD3 3196/4885KMT2A 3428/4885MEN1 1712/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SMYD3 2366/4885KMT2A 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 SMYD3 1689/4885KMT2A 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.