SCHEMBL4832702

SCHEMBL4832702

CN1CCC(N2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3C(F)(F)F)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SSTR1 P30872 2/20 0.39
SSTR4 P31391 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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 0.87 ACHE (0.42) ACHEALDH1A1KDM4EL3MBTL1L3MBTL3
SCHEMBL4842725 0.87 ACHE (0.42) ACHEALDH1A1KDM4ESSTR1SSTR4
SCHEMBL4837054 0.85 KDM4E (0.41) ACHEALDH1A1KDM4EL3MBTL1L3MBTL3
SCHEMBL4842608 0.82 KDM4E (0.43) ACHEALDH1A1KDM4EL3MBTL1L3MBTL3
Hydrochloric Acid SCHEMBL4832567 0.81 KDM4E (0.42) ACHEALDH1A1KDM4EL3MBTL1L3MBTL3
Hydrochloric Acid SCHEMBL4841723 0.81 KDM4E (0.42) ACHEALDH1A1KDM4EL3MBTL1L3MBTL3
SCHEMBL4840385 0.81 ACACB (0.41) ACHEL3MBTL1L3MBTL3SMN1; SMN2
SCHEMBL6300831 0.81 ACHE (0.45) GAAACHEALDH1A1KDM4EL3MBTL1
SCHEMBL6215877 0.81 ACHE (0.52) ACHEALDH1A1KDM4EL3MBTL1L3MBTL3
SCHEMBL4838454 0.80 ALDH1A1 (0.40) ACHEALDH1A1KDM4EL3MBTL1MEN1

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 GAA 2144/4885ACHE 3190/4885ALDH1A1 2408/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 GAA 1005/4885ACHE 2174/4885ALDH1A1 2261/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 GAA 1005/4885ACHE 2174/4885ALDH1A1 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.