SCHEMBL5098686

SCHEMBL5098686

NC1CCCN(C(=O)c2ccccn2)CC1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 2/20 0.50
LMNA P02545 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
PDE2A O00408 1/20 0.49
PDE10A Q9Y233 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RBP4 P02753 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL28747030 0.86 L3MBTL1 (0.55) L3MBTL1PLA2G1BATG4BMEN1KMT2A
SCHEMBL4485387 0.82 PLA2G1B (0.65) L3MBTL1PLA2G1BATG4BMEN1KMT2A
SCHEMBL4485391 0.82 PLA2G1B (0.65) L3MBTL1PLA2G1BATG4BMEN1KMT2A
SCHEMBL14730857 0.80 RECQL (0.62) L3MBTL1PLA2G1BATG4BMEN1KMT2A
SCHEMBL14275543 0.80 L3MBTL1 (0.64) L3MBTL1PLA2G1BATG4BMEN1KMT2A
SCHEMBL7381076 0.78 L3MBTL1 (0.66) L3MBTL1PLA2G1BATG4BMEN1KMT2A
SCHEMBL29688509 0.78 L3MBTL1 (0.66) L3MBTL1PLA2G1BATG4BMEN1KMT2A
SCHEMBL31686352 0.78 EPHX2 (0.60) L3MBTL1PLA2G1BATG4BMEN1KMT2A
SCHEMBL31677824 0.77 L3MBTL1 (0.86) L3MBTL1PLA2G1BATG4BEPHX2LMNA
SCHEMBL18228118 0.77 L3MBTL1 (0.86) L3MBTL1PLA2G1BATG4BEPHX2LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US disclosed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US disclosed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US disclosed
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN 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 (5 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ L3MBTL1 4001/4885PLA2G1B 2183/4885ATG4B 348/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE L3MBTL1 3169/4885PLA2G1B 2721/4885ATG4B 1020/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ L3MBTL1 4001/4885PLA2G1B 2183/4885ATG4B 348/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ L3MBTL1 4001/4885PLA2G1B 2183/4885ATG4B 348/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ L3MBTL1 4001/4885PLA2G1B 2183/4885ATG4B 348/4885

“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.