SCHEMBL4842725

SCHEMBL4842725

CN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3Cl)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR3 P51677 1/20 0.38
F10 P00742 4/20 0.37
F2 P00734 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4837319 0.89 ACHE (0.42) ACHEL3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL4837054 0.87 KDM4E (0.41) ACHEL3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL4832702 0.87 GAA (0.41) ACHEL3MBTL3L3MBTL1KDM4ESSTR1
SCHEMBL4840385 0.83 ACACB (0.41) ACHEL3MBTL3L3MBTL1F10F2
SCHEMBL6215877 0.82 ACHE (0.52) ACHEL3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL4838454 0.82 ALDH1A1 (0.40) ACHEL3MBTL1KDM4EALDH1A1
SCHEMBL4840253 0.80 KDM4E (0.45) ACHEL3MBTL3L3MBTL1CCR3KDM4E
Hydrochloric Acid SCHEMBL4841921 0.80 KDM4E (0.44) ACHEL3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL4841021 0.79 ACKR3 (0.41) ACHEL3MBTL3L3MBTL1F10F2
SCHEMBL4832878 0.76 ACHE (0.39) ACHEL3MBTL3L3MBTL1F10F2

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 ACHE 3190/4885L3MBTL3 591/4885L3MBTL1 116/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885L3MBTL3 1408/4885L3MBTL1 332/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885L3MBTL3 1408/4885L3MBTL1 332/4885

“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.