SCHEMBL4837103

SCHEMBL4837103

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CCc2nccs2)CC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACKR3 P25106 2/20 0.36
F2 P00734 1/20 0.36
GRM5 P41594 1/20 0.36
DTYMK P23919 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
TP53 P04637 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL4839963 0.84 TP53 (0.52) SIGMAR1TP53
SCHEMBL4836692 0.83 POLB (0.49) SIGMAR1
SCHEMBL4836879 0.82 SIGMAR1 (0.41) SIGMAR1F2TP53
SCHEMBL4840182 0.81 SIGMAR1 (0.41) SIGMAR1ACKR3TSHRTP53
SCHEMBL4840596 0.81 SIGMAR1 (0.46) SIGMAR1HTR1A
SCHEMBL4832377 0.81 SIGMAR1 (0.43) SIGMAR1ACKR3F2HTR1AHTR7
SCHEMBL4832361 0.79 SIGMAR1 (0.44) SIGMAR1TSHR
SCHEMBL4832522 0.79 GPR119 (0.43) SIGMAR1F2
SCHEMBL4837332 0.79 OPRD1 (0.47) SIGMAR1HTR1AHTR7
SCHEMBL4838582 0.78 SIGMAR1 (0.40) SIGMAR1KCNA5

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 639/4885CYP3A4 3210/4885SMN1; SMN2 4622/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885CYP3A4 2553/4885SMN1; SMN2 1756/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGMAR1 3111/4885CYP3A4 2553/4885SMN1; SMN2 1756/4885

“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.