SCHEMBL2835238

SCHEMBL2835238

COC(=O)CCc1cc(OC)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.51
NOS2 P35228 7/20 0.51
NOS3 P29474 4/20 0.51
DYRK1A Q13627 5/20 0.48
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7715426 0.87 NOS2 (0.54) NOS1NOS2NOS3CCR1CCR5
SCHEMBL10743352 0.87 NOS1 (0.48) NOS1NOS2NOS3CCR1CCR5
SCHEMBL2830882 0.86 NOS1 (0.53) NOS1NOS2NOS3DYRK1ACCR1
SCHEMBL15709975 0.84 NOS3 (0.54) NOS1NOS2NOS3DYRK1ACCR1
SCHEMBL12815784 0.81 EGFR (0.46) DYRK1ACYP2C9LMNAALDH1A1MAPT
SCHEMBL18989709 0.81 ALDH1A1 (0.39) DYRK1ALMNAALDH1A1MAPTHTT
SCHEMBL4104275 0.78 NOS2 (0.59) NOS1NOS2NOS3DYRK1ACCR1
SCHEMBL6844608 0.76 NOS2 (0.61) NOS1NOS2NOS3CCR1CCR5
SCHEMBL15849059 0.76 CYP11B1 (0.48) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL7230462 0.76 NOS1 (0.56) NOS1NOS2NOS3CCR1CCR5

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-08-26 US disclosed
US-7709488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2010-05-04 US disclosed
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed
US-20090036482-A1 Imidazopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2009-02-05 US disclosed
US-7468377-B2 Imidazopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-12-23 US disclosed
CN-100422182-C Imidazopyridine derivatives as inducible NO-synthase inhibitors ALTANA PHARMA AG (DE) 2008-10-01 CN disclosed
CN-100415745-C Imidazopyridine derivatives as inducible NO synthase inhibitors ALTANA PHARMA AG (DE) 2008-09-03 CN disclosed
EP-1673371-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-08-06 EP disclosed
EP-1670796-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP disclosed
EP-1675854-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP disclosed
CN-1751043-A Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-03-22 CN disclosed
EP-1599473-A1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2005-11-30 EP disclosed
US-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved ALTANA PHARMA AG (DE) 2005-08-04 US disclosed
CN-1642955-A Novel alkoxypyridine derivatives ALTANA PHARMA AG (DE) 2005-07-20 CN disclosed
WO-2005030769-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 WO disclosed
WO-2005030771-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 WO disclosed
WO-2005030770-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 WO disclosed
EP-1490366-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA Pharma AG (DE) 2004-12-29 EP disclosed
WO-2004076451-A1 IMIDAZO[4,5-B]QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2004-09-10 WO disclosed
WO-2003080607-A1 NOVEL ALKOXYPYRIDINE-DERIVATIVES ALTANA PHARMA AG (DE) 2003-10-02 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 (3 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-20050171125-A1 2-[2-(4-alkoxypyridin-2-yl)alkyl])-3H-imidazo[4,5-b]pyridine derivatives and 8-[2-(4-alkoxypyridin-2-yl)alkyl])-9H-purine derivatives; used to treat an acute inflammatory disease in which the activity of inducible NO-synthase is involved NOS2, PNP, PTGIS NOS1 4/4885NOS2 1/4885NOS3 6/4885
US-20090036482-A1 Imidazopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885

“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.