SCHEMBL1838240

SCHEMBL1838240

Cc1cc(CO)cc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.46
SCN9A Q15858 1/20 0.43
CNR2 P34972 1/20 0.40
CYP17A1 P05093 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
BRD4 O60885 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
BRD9 Q9H8M2 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
SCHEMBL2113744 0.82 LCK (0.51) LCKMAPK1
SCHEMBL30711674 0.82 LCK (0.51) LCKMAPK1
SCHEMBL4721570 0.80 MAPK1 (0.45) LCKCNR2MAPK1
SCHEMBL23467642 0.79 LCK (0.48) LCKSCN9AGSK3BDYRK1ACA12
SCHEMBL21590399 0.79 CYP1A2 (0.41) LCKSCN9AGSK3BDYRK1ACYP2C9
SCHEMBL20355066 0.79 SCN9A (0.46) LCKSCN9ACYP17A1GSK3BDYRK1A
SCHEMBL30483586 0.78 KDM4A (0.42) LCKDYRK1AACACBACACACA12
SCHEMBL1940483 0.77 IGF1R (0.48) LCKSCN9ACYP17A1GSK3BDYRK1A
SCHEMBL22208004 0.77 AAK1 (0.40) LCKSCN9ACYP17A1GSK3BDYRK1A
SCHEMBL20302320 0.77 LCK (0.46) LCKSCN9AGSK3BDYRK1AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136790-A1 Tricyclic Heterocyclic Derivatives and Methods of Use DE LERA RUIZ MANUEL 2011-06-09 US disclosed
EP-2318391-A1 TRICYCLIC HETEROCYCLE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS Schering Corporation (US) 2011-05-11 EP disclosed
WO-2010011653-A1 TRICYCLIC HETEROCYCLE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2010-01-28 WO disclosed
US-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 US 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
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
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-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
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
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007075629-A2 PHENOXYPIPERIDINES AND ANALOGS THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-07-05 WO 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 (4 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-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists HRH4, HRH3, HRH2 LCK 2674/4885SCN9A 2949/4885CNR2 13/4885
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 LCK 2845/4885SCN9A 3571/4885CNR2 443/4885
US-20110136790-A1 Tricyclic Heterocyclic Derivatives and Methods of Use GPR119, CNR1, CNR2 LCK 2924/4885SCN9A 1631/4885CNR2 3/4885
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 LCK 2811/4885SCN9A 3916/4885CNR2 284/4885

“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.