SCHEMBL4591103

SCHEMBL4591103

O=C1CCC(=O)N1CCOc1ccc(-c2cncnc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP11B1 P15538 1/20 0.36
PLA2G7 Q13093 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL4590888 0.87 CYP11B1 (0.46) ALDH1A1CYP11B1NPC1RAB9ACHRNB2
SCHEMBL4590528 0.83 NPC1 (0.46) MCHR1ESR1ESR2PLA2G7NPC1
SCHEMBL4591441 0.83 NPC1 (0.40) MCHR1CYP4F2CYP4A11ESR1ESR2
SCHEMBL4590135 0.82 ESR1 (0.39) MCHR1CYP4F2CYP4A11ESR1ESR2
SCHEMBL4591482 0.82 KDM1A (0.41) MCHR1CYP4F2CYP4A11ESR1ESR2
SCHEMBL4590769 0.82 LMNA (0.46) MCHR1ESR1ESR2ALDH1A1HRH3
SCHEMBL4591304 0.81 KDM1A (0.37) MCHR1CYP4F2CYP4A11ESR1ESR2
SCHEMBL4590990 0.80 RUNX1 (0.42) MCHR1ALDH1A1HRH3NPC1RAB9A
SCHEMBL4590695 0.80 CYP11B1 (0.43) CYP11B1RAB9A
SCHEMBL4590755 0.80 GRM2 (0.44) MCHR1ESR1ESR2CYP11B1PLA2G7

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 MCHR1 4016/4885CYP4F2 47/4885CYP4A11 108/4885

“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.