SCHEMBL4590972

SCHEMBL4590972

O=C1CCC(=O)N1CCOc1ccc(Br)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
ALDH1A1 P00352 1/20 0.40
PLA2G7 Q13093 2/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 3/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9264504 0.81 LTA4H (0.51) ALDH1A1PLA2G7HPGDNPSR1RAB9A
SCHEMBL4590695 0.78 CYP11B1 (0.43) RAB9A
SCHEMBL4590135 0.77 ESR1 (0.39) CHRNB2CHRNA4PLA2G7RAB9AESR1
SCHEMBL4591103 0.76 MCHR1 (0.37) CHRNB2CHRNA4ALDH1A1PLA2G7HPGD
SCHEMBL4591441 0.75 NPC1 (0.40) ALDH1A1PLA2G7RAB9AESR1ESR2
SCHEMBL4590528 0.75 NPC1 (0.46) PLA2G7RAB9AESR1ESR2NPC1
SCHEMBL31329166 0.75 LTA4H (0.60) CHRNB2CHRNA4HRH3
SCHEMBL17054992 0.75 LTA4H (0.56) CHRNB2CHRNA4HRH3
SCHEMBL2328227 0.75 LTA4H (0.60) CHRNB2CHRNA4HRH3
SCHEMBL4591062 0.74 NPC1 (0.42) PLA2G7RAB9AESR1ESR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 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 (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 CHRNB2 2568/4885CHRNA4 2462/4885ALDH1A1 3585/4885

“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.