SCHEMBL5099674

SCHEMBL5099674

CC(C[CH]C(=O)N(C(=O)c1ccccc1)C1CCCNC[C@@H]1O)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.34
OPRD1 P41143 1/20 0.34
GHSR Q92847 1/20 0.33
SLC6A2 P23975 10/20 0.32
SLC6A4 P31645 10/20 0.32
MBTPS1 Q14703 2/20 0.32
SLC6A3 Q01959 5/20 0.32
KCNH2 Q12809 3/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4765023 0.82 CTSD (0.38) GHSRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5099573 0.82 TRPM8 (0.34) KMT2ATRPM8OPRD1GHSR
SCHEMBL6589694 0.81 SIGMAR1 (0.34) KMT2ASLC6A2SLC6A4
SCHEMBL6588189 0.79
SCHEMBL6590138 0.78 KMT2A (0.38) KMT2AOPRD1SLC6A2SLC6A4MBTPS1
SCHEMBL6589085 0.77 HCRTR1 (0.33) KCNH2
SCHEMBL5099682 0.77 KMT2A (0.39) KMT2AOPRD1GHSRSLC6A2SLC6A4
SCHEMBL6589072 0.77 KMT2A (0.31) KMT2A
SCHEMBL5971336 0.75 IRAK4 (0.33) KCNH2
SCHEMBL6590708 0.74 CHEK1 (0.30)

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 13 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-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP 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
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 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 (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 KMT2A 2920/4885TRPM8 2527/4885OPRD1 3426/4885
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 KMT2A 2410/4885TRPM8 1885/4885OPRD1 3202/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885TRPM8 2527/4885OPRD1 3426/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885TRPM8 2527/4885OPRD1 3426/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885TRPM8 2527/4885OPRD1 3426/4885

“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.