SCHEMBL852583

SCHEMBL852583

CN(C(=O)OC(C)(C)C)c1cccc(CCO)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.39
BRD4 O60885 2/20 0.34
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
CREBBP Q92793 1/20 0.34
SSTR4 P31391 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE10A Q9Y233 1/20 0.32
NQO2 P16083 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
TTK P33981 1/20 0.32
GBA1 P04062 1/20 0.31

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
SCHEMBL12733833 0.92 CSNK2A1 (0.35) PAX8HCRTR1HCRTR2SSTR4PDE10A
SCHEMBL14270690 0.91 CYP4F2 (0.39) PAX8BRD4HCRTR1HCRTR2CREBBP
SCHEMBL31128424 0.91 CYP4F2 (0.39) PAX8BRD4HCRTR1HCRTR2CREBBP
SCHEMBL12710241 0.90 APP (0.40) PAX8HCRTR1HCRTR2NQO2CKS1B
SCHEMBL23131099 0.89 PAX8 (0.40) PAX8BRD4CREBBPSSTR4IRAK4
SCHEMBL12705243 0.88 ACHE (0.39) PAX8BRD4HCRTR1HCRTR2CREBBP
SCHEMBL14182011 0.86 PAX8 (0.40) PAX8BRD4CREBBPIRAK4HTR2C
SCHEMBL14270683 0.85 PAX8 (0.39) PAX8BRD4CREBBPSSTR4IRAK4
SCHEMBL8234289 0.85 PAX8 (0.36) PAX8BRD4HCRTR1HCRTR2CREBBP
SCHEMBL22493865 0.85 PAX8 (0.36) PAX8BRD4HCRTR1HCRTR2IRAK4

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
EP-2488513-B1 2,6-Diaminopyridine compounds for treating diseases associated with amyloid proteins or for treating ocular diseases AC IMMUNE SA (CH) 2017-12-27 EP disclosed
US-9701660-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE S.A. (CH) 2017-07-11 US disclosed
US-9701660-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE S.A. (CH) 2017-07-11 US disclosed
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System AC IMMUNE S.A. (CH) 2015-01-22 US disclosed
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System AC IMMUNE S.A. (CH) 2015-01-22 US disclosed
US-8916590-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE SA (CH) 2014-12-23 US disclosed
US-8916590-B2 2,6-diaminopyridine compounds suitable for treating diseases associated with amyloid or amyloid-like proteins or for treating or preventing ocular diseases or conditions associated with a pathological abnormality/change in the tissue of the visual system AC IMMUNE SA (CH) 2014-12-23 US disclosed
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
US-20110092537-A1 2,6-Diaminopyridine Compounds Suitable For Treating Diseases Associated With Amyloid Or Amyloid-Like Proteins Or For Treating Or Preventing Ocular Diseases Or Conditions Associated With A Pathological Abnormality/Change In The Tissue Of The Visual System AC IMMUNE S.A. (CH) 2011-04-21 US disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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-20110092537-A1 2,6-Diaminopyridine Compounds Suitable For Treating Diseases Associated With Amyloid Or Amyloid-Like Proteins Or For Treating Or Preventing Ocular Diseases Or Conditions Associated With A Pathological Abnormality/Change In The Tissue Of The Visual System APP, CLN6, DPYSL2 PAX8 1986/4885BRD4 2805/4885HCRTR1 627/4885
US-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL PAX8 3175/4885BRD4 4476/4885HCRTR1 1555/4885
US-20150023950-A1 2,6-Diaminopyridine Compounds Suitable for Treating Diseases Associated with Amyloid or Amyloid-Like Proteins or for Treating or Preventing Ocular Diseases or Conditions Associated with a Pathological Abnormality/Change in the Tissue of the Visual System APP, CLN6, DPYSL2 PAX8 1986/4885BRD4 2805/4885HCRTR1 627/4885

“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.