SCHEMBL4590868

SCHEMBL4590868

NCCOc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 1/20 0.47
CYP11B1 P15538 4/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
LTA4H P09960 2/20 0.45
PLA2G2A P14555 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP11B2 P19099 2/20 0.43
MPL P40238 1/20 0.41
GRM2 Q14416 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PDK2 Q15119 1/20 0.41
IDO1 P14902 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4590052 0.86 NPC1 (0.47) NPC1RAB9ACYP11B1ALOX5APFEN1
SCHEMBL4591771 0.80 PDK2 (0.47) NPC1RAB9ACYP11B1ALOX5APFEN1
SCHEMBL4591244 0.79 NPC1 (0.43) NPC1RAB9ACYP11B1ALOX5APFEN1
SCHEMBL4590531 0.79 RAB9A (0.63) NPC1RAB9AALOX5APFEN1L3MBTL1
SCHEMBL4590073 0.77 MTNR1A (0.55) NPC1RAB9ACYP11B1ALOX5APFEN1
SCHEMBL4590822 0.77 RAB9A (0.47) NPC1RAB9ACYP11B1ALOX5APFEN1
SCHEMBL27091799 0.76 NPC1 (0.46) NPC1RAB9ACYP11B1ALOX5APFEN1
SCHEMBL4590767 0.76 PDK2 (0.47) NPC1RAB9APDK2
SCHEMBL4590817 0.76 NPC1 (0.58) NPC1RAB9AALOX5APFEN1CASP3
SCHEMBL4590799 0.75 RAB9A (0.44) NPC1RAB9ACYP11B1ALOX5APFEN1

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 NPC1 2812/4885RAB9A 3899/4885CYP11B1 30/4885

“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.