SCHEMBL338604

SCHEMBL338604

CCCCCCNC(=O)c1c(OCc2ccccc2)c(=O)cc(C)n1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
PRCP P42785 1/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
CETP P11597 3/20 0.37
HPGD P15428 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL339330 0.87 MEN1 (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1HPGD
SCHEMBL339469 0.84 RIPK1 (0.44) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL338440 0.84 SMN1; SMN2 (0.42) NPC1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL338492 0.83 NOTUM (0.42) NPC1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL339206 0.82 RIPK1 (0.46) NPC1LMNASMN1; SMN2HPGDKMT2A
SCHEMBL338508 0.82 SGMS2 (0.51) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL339628 0.78 BRD4 (0.38) NPC1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL338637 0.75 KDM1A (0.42) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL339010 0.74 ALDH1A1 (0.49) NPC1LMNARAB9ASMN1; SMN2L3MBTL1
SCHEMBL338839 0.72 RIPK1 (0.46) CNR1CNR2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687298-B1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2012-12-26 EP disclosed
EP-1824823-B1 PROCESS FOR THE MANUFACTURE OF 3-HYDROXY-N-ALKYL-1-CYCLOALKYL-6-ALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE AND ITS RELATED ANALOGUES APOTEX INC (CA) 2012-04-25 EP disclosed
EP-1824823-B1 PROCESS FOR THE MANUFACTURE OF 3-HYDROXY-N-ALKYL-1-CYCLOALKYL-6-ALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE AND ITS RELATED ANALOGUES APOTEX INC (CA) 2012-04-25 EP disclosed
US-8097624-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2012-01-17 US disclosed
US-7893269-B2 amidation of 3-(benzyloxy)-1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid via the 2-acid chloride and then reaction with an amine; hydrolysis or catalytic hydrogenation to deprotect 3-hydroxy group; high yields for industrial application; the 3-(benzyloxy)-2-carboxamide intermediate APOTEX INC (CA) 2011-02-22 US disclosed
US-7893269-B2 amidation of 3-(benzyloxy)-1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid via the 2-acid chloride and then reaction with an amine; hydrolysis or catalytic hydrogenation to deprotect 3-hydroxy group; high yields for industrial application; the 3-(benzyloxy)-2-carboxamide intermediate APOTEX INC (CA) 2011-02-22 US disclosed
US-7893269-B2 amidation of 3-(benzyloxy)-1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid via the 2-acid chloride and then reaction with an amine; hydrolysis or catalytic hydrogenation to deprotect 3-hydroxy group; high yields for industrial application; the 3-(benzyloxy)-2-carboxamide intermediate APOTEX INC (CA) 2011-02-22 US disclosed
US-20090170850-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. 2009-07-02 US disclosed
CN-100448873-C Cycloalkyl derivatives of 3-hydroxy-4-pyridones APOTEX INC (CA) 2009-01-07 CN disclosed
US-7410985-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2008-08-12 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
EP-1687298-A4 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2007-10-17 EP disclosed
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention APOTEX INC. (CA) 2007-04-12 US disclosed
CN-1926135-A Cycloalkyl derivatives of 3-hydroxy-4-pyridones APOTEX INC (CA) 2007-03-07 CN disclosed
EP-1687298-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES Apotex Inc. (CA) 2006-08-09 EP disclosed
WO-2005049609-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC. (CA) 2005-06-02 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 (3 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-20090170850-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones HAMP, C1S, C1R NAAA 4436/4885PRCP 265/4885NPC1 1751/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 NAAA 4643/4885PRCP 574/4885NPC1 1580/4885
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues ADH1C, ADH1A, ADH5 NAAA 346/4885PRCP 2948/4885NPC1 4610/4885

“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.