SCHEMBL4599727

SCHEMBL4599727

Cc1noc(C)c1-c1ccc(OCCN2C(=O)CCC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 3/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
ALDH1A1 P00352 3/20 0.38
PLA2G7 Q13093 1/20 0.36
BRD4 O60885 6/20 0.36
CREBBP Q92793 5/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SRC P12931 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
PDE5A O76074 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRD2 P25440 2/20 0.35
CACNA1F O60840 1/20 0.35
ADRA1A P35348 1/20 0.35
CACNA1D Q01668 1/20 0.35

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
SCHEMBL4610280 0.88 PIM1 (0.37) TAS2R8AURKAAURKBBRD4SRC
SCHEMBL4591482 0.75 KDM1A (0.41) ALDH1A1HPGDNPSR1
SCHEMBL4590769 0.75 LMNA (0.46) ALDH1A1HPGD
SCHEMBL4591103 0.74 MCHR1 (0.37) ALDH1A1PLA2G7HPGDNPSR1
SCHEMBL4591055 0.74 ALDH1A1 (0.42) ALDH1A1PLA2G7HPGDNPSR1
SCHEMBL4591441 0.73 NPC1 (0.40) ALDH1A1PLA2G7CYP1A2CYP2C9TSHR
SCHEMBL4590528 0.73 NPC1 (0.46) PLA2G7
SCHEMBL4590695 0.73 CYP11B1 (0.43)
SCHEMBL4591396 0.73 APP (0.41) ALDH1A1
SCHEMBL4591302 0.73 KDM4E (0.44) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP claimed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US claimed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP claimed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO claimed
US-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 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 (1 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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 TAS2R8 4451/4885AURKA 4390/4885AURKB 4044/4885

“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.