SCHEMBL4591010

SCHEMBL4591010

Cc1cc(F)ccc1-c1ccc(OCCN2C(=O)CCC2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GRIN1 Q05586 4/20 0.39
GRIN2B Q13224 4/20 0.39
GRM5 P41594 2/20 0.39
KCNH2 Q12809 1/20 0.39
SRC P12931 1/20 0.38
MAPK14 Q16539 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4610330 0.91 GRIN2B (0.36) PLA2G7NPC1RAB9AGRIN1GRIN2B
SCHEMBL4590069 0.89 NPC1 (0.42) PLA2G7NPC1RAB9AGRM5MAPK14
SCHEMBL4591062 0.86 NPC1 (0.42) PLA2G7NPC1RAB9AMAPK14ATM
SCHEMBL4590528 0.81 NPC1 (0.46) PLA2G7NPC1RAB9AATMMEN1
SCHEMBL4591441 0.81 NPC1 (0.40) PLA2G7NPC1RAB9AALDH1A1ATM
SCHEMBL4590739 0.80 GRM2 (0.38) NPC1RAB9AGRIN1GRIN2BGRM5
SCHEMBL4590822 0.79 RAB9A (0.47) PLA2G7NPC1RAB9AHPGDNPSR1
SCHEMBL4590135 0.78 ESR1 (0.39) PLA2G7NPC1RAB9AMAPK14
SCHEMBL4590732 0.77 RAB9A (0.42) PLA2G7NPC1RAB9AHPGDNPSR1
SCHEMBL4591402 0.77 BMP4 (0.39) PLA2G7NPC1RAB9AATMMEN1

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 PLA2G7 149/4885NPC1 2812/4885RAB9A 3899/4885

“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.