SCHEMBL443699

SCHEMBL443699

O=C(O)c1cc2cc(OCCN3CCCC3)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.53
TSHR P16473 1/20 0.52
PIM1 P11309 1/20 0.51
HTT P42858 1/20 0.51
SIGMAR1 Q99720 3/20 0.51
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
LTA4H P09960 2/20 0.50
MAOA P21397 1/20 0.50
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL4763329 0.99 MAOB (0.57) MAOBKDM4EPOLBTSHRPIM1
SCHEMBL3056169 0.91 KDM4E (0.54) KDM4ETSHRPIM1DRD2DRD3
Hydrochloric Acid SCHEMBL7533535 0.90 KDM4E (0.53) KDM4ETSHRPIM1DRD2DRD3
SCHEMBL8229194 0.89 MAOB (0.67) MAOBKDM4EPOLBTSHRHTT
SCHEMBL12632597 0.88 KDM4E (0.55) MAOBKDM4ESIGMAR1DRD2DRD3
SCHEMBL1474145 0.88 PIM1 (0.49) MAOBKDM4EPOLBTSHRPIM1
SCHEMBL445130 0.87 KDM4E (0.55) MAOBKDM4ETSHRSIGMAR1DRD2
SCHEMBL1474106 0.85 PIM1 (0.52) MAOBKDM4EPIM1HTTDRD2
SCHEMBL6983907 0.84 KDM4E (0.60) MAOBKDM4ETSHRDRD2DRD3
SCHEMBL5105731 0.84 CYP1A2 (0.52) KDM4ETSHRDRD2DRD3LTA4H

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
US-9186347-B1 Hydroxamates as therapeutic agents PHARMACYCLICS LLC (US) 2015-11-17 US disclosed
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS LLC 2015-11-12 US disclosed
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 US disclosed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 US disclosed
US-8389570-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2013-03-05 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
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
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 (9 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 MAOB 3789/4885KDM4E 917/4885POLB 3510/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 MAOB 1288/4885KDM4E 561/4885POLB 652/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP MAOB 729/4885KDM4E 956/4885POLB 4598/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 MAOB 1288/4885KDM4E 561/4885POLB 652/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 MAOB 1288/4885KDM4E 561/4885POLB 652/4885
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 MAOB 4278/4885KDM4E 875/4885POLB 3793/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ MAOB 3789/4885KDM4E 917/4885POLB 3510/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ MAOB 3789/4885KDM4E 917/4885POLB 3510/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ MAOB 3789/4885KDM4E 917/4885POLB 3510/4885

“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.