SCHEMBL4840385

SCHEMBL4840385

CN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3csc4ccccc34)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.41
ACACA Q13085 7/20 0.41
DTYMK P23919 1/20 0.39
ACHE P22303 1/20 0.39
HTR7 P34969 1/20 0.39
MAPT P10636 1/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4837054 0.85 KDM4E (0.41) ACACBACACAACHEL3MBTL3L3MBTL1
SCHEMBL4842725 0.83 ACHE (0.42) ACHEF2F10L3MBTL3L3MBTL1
SCHEMBL4837319 0.83 ACHE (0.42) ACHEL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL4833053 0.82 KDM4E (0.42) ACHEHTR7MAPTF2F10
Hydrochloric Acid SCHEMBL4837121 0.81 KDM4E (0.41) ACHEMAPTF2F10L3MBTL3
SCHEMBL4832702 0.81 GAA (0.41) ACHEL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL4841021 0.81 ACKR3 (0.41) ACACBACACADTYMKACHEF2
SCHEMBL6215877 0.78 ACHE (0.52) ACHEMAPTL3MBTL3L3MBTL1
SCHEMBL4838454 0.77 ALDH1A1 (0.40) ACHEL3MBTL1
SCHEMBL4832878 0.76 ACHE (0.39) ACACBACACADTYMKACHEF2

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 ACACB 2508/4885ACACA 1372/4885DTYMK 1831/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACACB 2492/4885ACACA 1789/4885DTYMK 3793/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACACB 2492/4885ACACA 1789/4885DTYMK 3793/4885

“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.