SCHEMBL3620330

SCHEMBL3620330

CC(C)(C)OC(=O)C(C)(C=O)CN

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
CTSK P43235 3/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27655023 1.00 DGAT1 (0.39) DGAT1CTSKMAOAMAOBKDM4E
SCHEMBL5535688 0.73 MEN1 (0.35) DGAT1CTSK
SCHEMBL20565568 0.73 DGAT1 (0.34) DGAT1
SCHEMBL12503127 0.73 DGAT1 (0.44) DGAT1MAOAMAOBKDM4E
SCHEMBL31729965 0.71 DGAT1 (0.43) DGAT1CTSKMAOAMAOB
SCHEMBL2675895 0.71 DGAT1 (0.43) DGAT1MAOAMAOBKDM4E
SCHEMBL28449346 0.71 DGAT1 (0.43) DGAT1MAOAMAOBKDM4E
SCHEMBL3383788 0.71 DGAT1 (0.43) DGAT1MAOAMAOBKDM4E
SCHEMBL18817843 0.71 DGAT1 (0.43) DGAT1MAOAMAOBKDM4E
Hydrochloric Acid SCHEMBL16742421 0.71 DGAT1 (0.43) DGAT1MAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
CN-1225471-C Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 2005-11-02 CN disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO disclosed
CN-1176645-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1998-03-18 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 (4 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE DGAT1 2695/4885CTSK 8/4885MAOA 490/4885
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS DGAT1 3444/4885CTSK 4/4885MAOA 1576/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS DGAT1 4431/4885CTSK 8/4885MAOA 2142/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE DGAT1 2220/4885CTSK 7/4885MAOA 1743/4885

“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.