SCHEMBL4839963

SCHEMBL4839963

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CCc2ccccn2)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.52
THRB P10828 2/20 0.48
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 3/20 0.43

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
SCHEMBL4836879 0.90 SIGMAR1 (0.41) TP53THRBALDH1A1SIGMAR1
SCHEMBL4840182 0.89 SIGMAR1 (0.41) TP53THRBKDM4EALDH1A1SIGMAR1
SCHEMBL4832377 0.87 SIGMAR1 (0.43) TP53THRBSIGMAR1
SCHEMBL4836692 0.85 POLB (0.49) THRBLMNASIGMAR1
SCHEMBL4837103 0.84 SIGMAR1 (0.41) TP53SIGMAR1
SCHEMBL4840596 0.83 SIGMAR1 (0.46) KDM4EALDH1A1SIGMAR1
SCHEMBL4832361 0.81 SIGMAR1 (0.44) SIGMAR1
SCHEMBL4832522 0.81 GPR119 (0.43) THRBSIGMAR1
SCHEMBL4837332 0.81 OPRD1 (0.47) THRBLMNAALDH1A1SIGMAR1
SCHEMBL4838582 0.81 SIGMAR1 (0.40) THRBSIGMAR1

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 8 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-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

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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 TP53 2550/4885THRB 1735/4885LMNA 904/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TP53 4473/4885THRB 4088/4885LMNA 70/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 TP53 4473/4885THRB 4088/4885LMNA 70/4885

“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.