SCHEMBL7875783

SCHEMBL7875783

Clc1ccc2c(NCCCCNc3c4ccc(Cl)cc4nc4cc(Cl)ccc34)c3ccc(Cl)cc3nc2c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.63
BCHE P06276 3/20 0.63
MBNL1 Q9NR56 1/20 0.58

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
SCHEMBL7869225 0.85 MBNL1 (0.81) ACHEMBNL1
SCHEMBL7875727 0.84 MEN1 (0.56) ACHEBCHEMBNL1
SCHEMBL20087077 0.84 MBNL1 (0.80) ACHEMBNL1
SCHEMBL20087053 0.84 MBNL1 (0.80) ACHEMBNL1
SCHEMBL20087027 0.84 MBNL1 (0.80) ACHEMBNL1
SCHEMBL7880398 0.82 MEN1 (0.79) ACHEMBNL1
SCHEMBL6895389 0.82 MBNL1 (0.67) ACHEBCHEMBNL1
SCHEMBL18163852 0.82 ADORA2A (0.80) ACHEMBNL1
SCHEMBL6541843 0.82 ADORA2A (0.69) ACHEBCHEMBNL1
SCHEMBL7880375 0.81 ADORA2A (0.60) ACHEBCHEMBNL1

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
US-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-10-18 US claimed
EP-0979078-A4 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2000-06-21 EP claimed
EP-0979078-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP claimed
WO-1998030218-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO claimed
US-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-10-18 US disclosed
US-6242459-B1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-06-05 US disclosed
EP-0979078-A4 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2000-06-21 EP disclosed
EP-0979078-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP disclosed
WO-1998030218-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 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 (1 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-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents CCR5, CCR2, CCR1 ACHE 3066/4885BCHE 1348/4885MBNL1 3487/4885

“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.