SCHEMBL4591402

SCHEMBL4591402

O=C1CCC(=O)N1CCOc1ccc(-c2ccncc2F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GSK3B P49841 3/20 0.36
CDC7 O00311 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
DHODH Q02127 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
GRM2 Q14416 1/20 0.33
PLA2G7 Q13093 3/20 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
SCHEMBL4610280 0.88 PIM1 (0.37) BMP4CCNCCDK8GSK3BDHODH
SCHEMBL4590873 0.86 CYP4F2 (0.35) NPC1RAB9AGSK3BCYP4F2CYP4A11
SCHEMBL4590822 0.86 RAB9A (0.47) NPC1RAB9AMEN1KMT2AGRM2
SCHEMBL4590069 0.84 NPC1 (0.42) NPC1RAB9AHRH3GRM2PLA2G7
SCHEMBL4590732 0.81 RAB9A (0.42) NPC1RAB9ACYP4F2CYP4A11CHRNB2
SCHEMBL4591062 0.81 NPC1 (0.42) NPC1RAB9ADHODHPLA2G7ATM
SCHEMBL4590888 0.80 CYP11B1 (0.46) NPC1RAB9ACHRNB2CHRNA4CYP1A2
SCHEMBL4591304 0.79 KDM1A (0.37) NPC1RAB9ACYP4F2CYP4A11HRH3
SCHEMBL4591441 0.78 NPC1 (0.40) NPC1RAB9ACYP4F2CYP4A11CYP1A2
SCHEMBL4590528 0.78 NPC1 (0.46) NPC1RAB9AMEN1KMT2APLA2G7

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 BMP4 4017/4885CCNC 2057/4885CDK8 1734/4885

“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.