SCHEMBL4039121

SCHEMBL4039121

CNCCCOCCCc1ccc(Cl)c(C(=O)NCC23CCCC(CCC2)C3)c1.[CH2]

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.54
ABCB11 O95342 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
SCHEMBL5553346 0.94 P2RX7 (0.60) P2RX7ABCB11
SCHEMBL7083974 0.92 P2RX7 (0.50) P2RX7
SCHEMBL4126837 0.89 P2RX7 (0.67) P2RX7ABCB11
SCHEMBL7085709 0.89 P2RX7 (0.64) P2RX7ABCB11
SCHEMBL7083528 0.88 P2RX7 (0.63) P2RX7ABCB11
SCHEMBL7077646 0.86 P2RX7 (0.63) P2RX7ABCB11
SCHEMBL5557788 0.86 P2RX7 (0.51) P2RX7
SCHEMBL7077648 0.85 P2RX7 (0.66) P2RX7ABCB11
SCHEMBL7079398 0.85 P2RX7 (0.58) P2RX7ABCB11
SCHEMBL7085513 0.84 P2RX7 (0.65) P2RX7ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1906960-A1 NEW COMBINATION 1 AstraZeneca AB (SE) 2008-04-09 EP claimed
JP-2007501270-A 2007-01-25 JP claimed
WO-2007008155-A1 NEW COMBINATION 1 ASTRAZENECA AB (SE) 2007-01-18 WO claimed
WO-2006083214-A1 PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A HMG-COA REDUCTASE INHIBITOR ASTRAZENECA AB (SE) 2006-08-10 WO claimed
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE AstraZeneca AB (SE) 2006-04-12 EP claimed
EP-1633401-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR ALPHA AstraZeneca AB (SE) 2006-03-15 EP claimed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO claimed
WO-2004105798-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR α ASTRAZENECA AB (SE) 2004-12-09 WO claimed
US-20030013704-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
WO-2009019503-A2 P2X7 ANTAGONISTS FOR USE IN THE TREATMENT OF MOOD DISORDERS ASTRAZENECA AB (SE) 2009-02-12 WO disclosed
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE AstraZeneca AB (SE) 2006-04-12 EP disclosed
EP-1644041-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE AstraZeneca AB (SE) 2006-04-12 EP disclosed
EP-1633401-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR ALPHA AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004105797-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2004105798-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR α ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
US-20030013704-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242364-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044170-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-21 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-20030013704-A1 Adamantane derivatives ADRA2C, CHRNA2, ADRA1D P2RX7 1500/4885ABCB11 399/4885

“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.