SCHEMBL13506830

SCHEMBL13506830

CCOC(=O)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.62
NOS1 P29475 4/20 0.55
NOS3 P29474 2/20 0.54
KDM4E B2RXH2 5/20 0.53
MAPT P10636 4/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CTSB P07858 1/20 0.52
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL30594366 0.86 GPR119 (0.51) NOS2MAPTMAPK1NPC1RAB9A
SCHEMBL2245357 0.86 GPR119 (0.51) NOS2MAPTMAPK1NPC1RAB9A
SCHEMBL6580349 0.85 JAK2 (0.49) NOS2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15204677 0.84 SMN1; SMN2 (0.48) NOS2MAPTMAPK1NPC1NFKB1
SCHEMBL15204675 0.84 SMN1; SMN2 (0.48) NOS2MAPTMAPK1NPC1NFKB1
SCHEMBL13319025 0.83 NOS2 (0.62) NOS2NOS1NOS3KDM4EMAPT
SCHEMBL4910166 0.82 LMNA (0.63) NOS2NOS1NOS3KDM4EMAPT
SCHEMBL13319035 0.82 NOS2 (0.67) NOS2NOS1NOS3KDM4EMAPT
SCHEMBL1163532 0.82 NOS2 (0.54) NOS2NOS1NOS3KDM4EMAPT
SCHEMBL13319483 0.82 ALDH1A1 (0.54) NOS2NOS1NOS3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
EP-2518071-A1 Imidazopyridine derivatives as PI3K inhibitors Almirall, S.A. (ES) 2012-10-31 EP disclosed
US-7531660-B2 1-[[1-[(2-amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-B]pyridin-3-YL]piperidine and methods of use thereof SCHERING CORPORATION (US) 2009-05-12 US disclosed
EP-1499316-B1 (1-4-PIPERIDINYL)BENZIMIDAZOLE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2008-03-19 EP disclosed
US-20080058370-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine and Methods of Use Thereof SCHERING CORPORATION 2008-03-06 US disclosed
US-7332604-B2 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION (US) 2008-02-19 US disclosed
WO-2007035703-A1 1- [ [1- [ (2-AMIN0-6-METHYL-4-PYRIDINYL) METHYL] -4-FLU0R0-4-PIPERIDINYL,] CARBONYL] -4- [2- (2-PYRIDINYL) -3H-IMIDAZ0 [4 , 5-B] PYRIDIN-3-YL] PIPERIDINE USEFUL AS HISTAMINE H3 ANTAGONIST SCHERING CORPORATION (US) 2007-03-29 WO disclosed
US-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION 2007-03-22 US disclosed
US-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine SCHERING CORPORATION 2007-03-22 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 (2 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-20070066644-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine FABP1, GPR119, FABP4 NOS2 758/4885NOS1 415/4885NOS3 531/4885
US-20080058370-A1 1-[[1-[(2-Amino-6-methyl-4-pyridinyl)methyl]-4-fluoro-4-piperidinyl]carbonyl]-4-[2-(2-pyridinyl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidine and Methods of Use Thereof FABP1, LIPC, GPR119 NOS2 927/4885NOS1 605/4885NOS3 615/4885

“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.