SCHEMBL688492

SCHEMBL688492

CC(C)CN1CC(C(=O)O)CC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.50
P2RX7 Q99572 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX15 P16050 1/20 0.44
HPGD P15428 1/20 0.44

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
Glycerin SCHEMBL3843204 0.91 POLB (0.83) POLBMAPTSMN1; SMN2HTTP2RX7
SCHEMBL15082379 0.88 POLB (0.79) POLBMAPTSMN1; SMN2HTTL3MBTL1
Triethylene Glycol SCHEMBL1360705 0.87 POLB (0.76) POLBMAPTSMN1; SMN2HTTP2RX7
SCHEMBL10039387 0.86 POLB (0.76) POLBMAPTSMN1; SMN2P2RX7L3MBTL1
SCHEMBL14477946 0.85 POLB (0.73) POLBMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL2523994 0.84 POLB (0.72) POLBMAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL3829535 0.82 POLB (0.67) POLBMAPTSMN1; SMN2HTTP2RX7
SCHEMBL15042171 0.82 POLB (0.69) POLBMAPTP2RX7KMT2AALDH1A1
SCHEMBL12145251 0.81 POLB (0.68) POLBMAPTP2RX7L3MBTL1KMT2A
SCHEMBL8293964 0.80 POLB (0.67) POLBMAPTSMN1; SMN2HTTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
US-8722589-B2 Use of 1-alkyl-5-oxopyrrolidine-3-carboxylic esters as gas hydrate inhibitors with improved biodegradability CLARIANT FINANCE (BVI) LIMITED (VG) 2014-05-13 US disclosed
US-8585779-B2 Composition comprising at least one 2-pyrrolidone functionalized in the 4 position with a carboxylic acid or amide, and at least one direct dye or a pigment for dyeing keratin fibres L'OREAL (FR) 2013-11-19 US disclosed
US-20130167307-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2013-07-04 US disclosed
US-20130167307-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2013-07-04 US disclosed
EP-2022781-B1 1-Alkyl-5-oxo-pyrrolidine-3-carboxylic acid esters with improved biodegradability CLARIANT FINANCE BVI LTD (VG) 2012-02-29 EP disclosed
WO-2011154460-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2011-12-15 WO disclosed
US-8067651-B2 1-alkyl-5-oxopyrrolidine-3-carboxylic esters with improved biodegradability CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-29 US disclosed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-2028247-A1 Use of 1-alkyl-5-oxo-pyrrolidine-3-carbolic acid esters as gas hydrate inhibitors with improved biological degradability CLARIANT INTERNATIONAL LTD. (CH) 2009-02-25 EP disclosed
US-20090043146-A1 1-Alkyl-5-oxopyrrolidine-3-carboxylic esters with improved biodegradability CLARIANT INTERNATIONAL LTD. 2009-02-12 US disclosed
US-20090042747-A1 Use of 1-alkyl-5-oxopyrrolidine-3-carboxylic esters as gas hydrate inhibitors with improved biodegradability CLARIANT INTERNATIONAL LTD. 2009-02-12 US disclosed
EP-2022781-A1 1-Alkyl-5-oxo-pyrrolidine-3-carboxylic acid esters with improved biodegradability CLARIANT INTERNATIONAL LTD. (CH) 2009-02-11 EP disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 US disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 US 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-20130167307-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES KRT18, ADH1A, ADH1C POLB 648/4885MAPT 205/4885SMN1; SMN2 4384/4885
US-20090043146-A1 1-Alkyl-5-oxopyrrolidine-3-carboxylic esters with improved biodegradability OXER1, CYP1A1, CHRM1 POLB 952/4885MAPT 3773/4885SMN1; SMN2 3788/4885
US-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E POLB 79/4885MAPT 3976/4885SMN1; SMN2 4735/4885
US-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 POLB 2086/4885MAPT 3850/4885SMN1; SMN2 4305/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 POLB 2086/4885MAPT 3850/4885SMN1; SMN2 4305/4885

“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.