SCHEMBL4836692

SCHEMBL4836692

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CCc2ccncc2)CC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
THRB P10828 4/20 0.48
SIGMAR1 Q99720 3/20 0.48
P2RX7 Q99572 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4840596 0.90 SIGMAR1 (0.46) SIGMAR1P2RX7
SCHEMBL4837016 0.88 POLB (0.49) POLBTHRBSIGMAR1RXFP1LMNA
SCHEMBL4841380 0.86 POLB (0.50) POLBTHRBSIGMAR1RXFP1MEN1
SCHEMBL4832361 0.86 SIGMAR1 (0.44) POLBSIGMAR1P2RX7MEN1KMT2A
SCHEMBL4839963 0.85 TP53 (0.52) THRBSIGMAR1LMNA
SCHEMBL4832522 0.85 GPR119 (0.43) POLBTHRBSIGMAR1P2RX7KCNH2
SCHEMBL4836879 0.85 SIGMAR1 (0.41) POLBTHRBSIGMAR1P2RX7MEN1
SCHEMBL4838582 0.85 SIGMAR1 (0.40) POLBTHRBSIGMAR1RXFP1KCNH2
SCHEMBL4840182 0.84 SIGMAR1 (0.41) THRBSIGMAR1
SCHEMBL4837155 0.83 POLB (0.46) POLBTHRBSIGMAR1P2RX7RXFP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP 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-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-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-2001096323-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 (4 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 POLB 2781/4885THRB 1735/4885SIGMAR1 639/4885
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 POLB 2002/4885THRB 3608/4885SIGMAR1 2485/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885THRB 4088/4885SIGMAR1 3111/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 POLB 4543/4885THRB 4088/4885SIGMAR1 3111/4885

“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.