SCHEMBL4590739

SCHEMBL4590739

Cc1cc(-c2ccc(OCCN3C(=O)CCC3=O)cn2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
GRM5 P41594 1/20 0.38
GRIN2B Q13224 10/20 0.38
GRIN1 Q05586 8/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
IDH1 O75874 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCHR1 Q99705 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
SCHEMBL4610330 0.91 GRIN2B (0.36) GRM5GRIN2BGRIN1NPC1RAB9A
SCHEMBL4590755 0.90 GRM2 (0.44) GRM2ESR1ESR2NPC1TP53
SCHEMBL4590958 0.87 GRM2 (0.47) GRM2ESR1ESR2MCHR1
SCHEMBL4591304 0.84 KDM1A (0.37) GRM2ALDH1A1ESR1ESR2NPC1
SCHEMBL4590528 0.83 NPC1 (0.46) ESR1ESR2NPC1RAB9AMCHR1
SCHEMBL4591441 0.83 NPC1 (0.40) ALDH1A1ESR1ESR2NPC1RAB9A
SCHEMBL4590135 0.82 ESR1 (0.39) ESR1ESR2NPC1RAB9AMCHR1
SCHEMBL4590764 0.81 HPGD (0.45)
SCHEMBL4590894 0.81 MEN1 (0.44) ALDH1A1ESR1ESR2RAB9A
SCHEMBL4591482 0.80 KDM1A (0.41) ALDH1A1ESR1ESR2MCHR1

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 8 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 claimed
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 GRM2 2000/4885GRM5 1685/4885GRIN2B 1876/4885

“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.