SCHEMBL6049671

SCHEMBL6049671

COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)/C=C/c1ccc(-c2nc3c(=O)n(CC4CCCCCC4)c(=O)n(CC4CCCCCC4)c3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.53
ADORA3 P0DMS8 6/20 0.53
ADORA2A P29274 5/20 0.53
ADORA1 P30542 4/20 0.53
MTOR P42345 2/20 0.34
MGLL Q99685 2/20 0.33
P2RX3 P56373 2/20 0.33
PDE7A Q13946 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL5428341 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL5701832 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL5431701 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL5861525 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL5861429 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL5431586 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL5860446 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL5861492 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL5860233 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1MTOR
SCHEMBL6049716 0.99 ADORA2B (0.52) ADORA2BADORA3ADORA2AADORA1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372661-B1 GLYCOL DERIVATVES OF XANTHINES FOR TREATING IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP claimed
JP-2004523559-A 2004-08-05 JP claimed
US-6770267-B2 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2004-08-03 US claimed
US-20040072848-A1 Methods of treating irritable bowel syndrome and functional dyspepsia SMITHKLINE BEECHAM CORPORATION 2004-04-15 US claimed
US-20040034020-A1 Methods of treating periodontal disease DALUGE SUSAN MARY (US) 2004-02-19 US claimed
EP-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 EP claimed
EP-1372661-A2 METHODS OF TREATING IRRITABLE BOWEL SYNDROME AND FUNCTIONAL DYSPEPSIA SmithKline Beecham Corporation (US) 2004-01-02 EP claimed
US-6608069-B1 Treating AIDS-related diarrhea or infectious diarrhea, tissue damage or dermatitis associated with leukocyte infiltration into tissue, asthma, inflammatory bowel condition, eczema, or psoriasis SMITHKLINE BEECHAM CORPORATION 2003-08-19 US claimed
US-20030032804-A1 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2003-02-13 US claimed
WO-2002067942-A2 METHODS OF TREATING IRRITABLE BOWEL SYNDROME AND FUNCTIONAL DYSPEPSIA SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 WO claimed
EP-1104422-A1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-06-06 EP claimed
WO-2000009507-A1 PHENYL YANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-02-24 WO claimed
EP-1372661-B1 GLYCOL DERIVATVES OF XANTHINES FOR TREATING IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP disclosed
US-6770267-B2 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2004-08-03 US disclosed
US-20040072848-A1 Methods of treating irritable bowel syndrome and functional dyspepsia SMITHKLINE BEECHAM CORPORATION 2004-04-15 US disclosed
US-20040034020-A1 Methods of treating periodontal disease DALUGE SUSAN MARY (US) 2004-02-19 US disclosed
US-6608069-B1 Treating AIDS-related diarrhea or infectious diarrhea, tissue damage or dermatitis associated with leukocyte infiltration into tissue, asthma, inflammatory bowel condition, eczema, or psoriasis SMITHKLINE BEECHAM CORPORATION 2003-08-19 US disclosed
US-20030032804-A1 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2003-02-13 US disclosed
EP-1104422-A1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-06-06 EP disclosed
WO-2000009507-A1 PHENYL YANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-02-24 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-20040034020-A1 Methods of treating periodontal disease MMP8, LPO, PTGES3 ADORA2B 680/4885ADORA3 730/4885ADORA2A 660/4885
US-20040072848-A1 Methods of treating irritable bowel syndrome and functional dyspepsia SI, XDH, SLC10A2 ADORA2B 247/4885ADORA3 164/4885ADORA2A 175/4885
US-20030032804-A1 Methods of treating periodontal disease HPGDS, SELP, ALPI ADORA2B 439/4885ADORA3 656/4885ADORA2A 300/4885

“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.