SCHEMBL4840596

SCHEMBL4840596

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CCc2cccnc2)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
P2RX7 Q99572 2/20 0.44
ALOX15 P16050 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 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
SCHEMBL4836692 0.90 POLB (0.49) SIGMAR1P2RX7
SCHEMBL4836879 0.86 SIGMAR1 (0.41) SIGMAR1ALDH1A1P2RX7
SCHEMBL4832361 0.85 SIGMAR1 (0.44) SIGMAR1P2RX7
SCHEMBL4832522 0.85 GPR119 (0.43) SIGMAR1P2RX7
SCHEMBL4840182 0.83 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1
SCHEMBL4839963 0.83 TP53 (0.52) SIGMAR1KDM4EALDH1A1
SCHEMBL4838582 0.81 SIGMAR1 (0.40) SIGMAR1
SCHEMBL4837103 0.81 SIGMAR1 (0.41) SIGMAR1HTR1A
SCHEMBL4832232 0.80 SIGMAR1 (0.40) SIGMAR1KDM4E
SCHEMBL4832377 0.80 SIGMAR1 (0.43) SIGMAR1HTR1A

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 10 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
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 SIGMAR1 639/4885KDM4E 3205/4885ALDH1A1 2408/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885KDM4E 3503/4885ALDH1A1 2261/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885KDM4E 3503/4885ALDH1A1 2261/4885

“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.