SCHEMBL4765626

SCHEMBL4765626

CC(C)(C)OC(=O)N1CCN(CCOc2ccc3oc(C(=O)O)cc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
GPR4 P46093 1/20 0.49
GPR119 Q8TDV5 2/20 0.47
EPHX2 P34913 6/20 0.47
MAOB P27338 1/20 0.46
PIM1 P11309 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
LTA4H P09960 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 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
SCHEMBL443699 0.83 MAOB (0.55) DRD2DRD3MAOBPIM1LTA4H
SCHEMBL4763329 0.82 MAOB (0.57) DRD2DRD3MAOBPIM1
SCHEMBL3056169 0.81 KDM4E (0.54) DRD2DRD3PIM1CA12CA1
SCHEMBL216291 0.81 EPHX2 (0.52) DRD2DRD3GPR4GPR119EPHX2
SCHEMBL12632597 0.81 KDM4E (0.55) DRD2DRD3MAOB
Hydrochloric Acid SCHEMBL7533535 0.80 KDM4E (0.53) DRD2DRD3PIM1CA12CA1
SCHEMBL1474145 0.79 PIM1 (0.49) DRD2DRD3MAOBPIM1LTA4H
SCHEMBL29881025 0.78 ALDH1A1 (0.50)
SCHEMBL15155551 0.78 MEN1 (0.51)
SCHEMBL1888484 0.78 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
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-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US 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-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO 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 (6 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 DRD2 4453/4885DRD3 3743/4885GPR4 1297/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP DRD2 4639/4885DRD3 4111/4885GPR4 4016/4885
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 DRD2 4676/4885DRD3 4447/4885GPR4 1031/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ DRD2 4453/4885DRD3 3743/4885GPR4 1297/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ DRD2 4453/4885DRD3 3743/4885GPR4 1297/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ DRD2 4453/4885DRD3 3743/4885GPR4 1297/4885

“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.