SCHEMBL4034011

SCHEMBL4034011

O=C(NCC12CCCC(CCC1)C2)c1cc(OCCS(=O)(=O)CCCO)ccc1Cl.[CH2]

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.48
P2RY12 Q9H244 1/20 0.40

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
SCHEMBL7516491 0.97 P2RX7 (0.49) P2RX7P2RY12
SCHEMBL7689724 0.91 P2RX7 (0.49) P2RX7P2RY12
SCHEMBL7689114 0.90 P2RX7 (0.48) P2RX7P2RY12
SCHEMBL5076158 0.89 P2RX7 (0.63) P2RX7
SCHEMBL7517506 0.87 P2RX7 (0.57) P2RX7P2RY12
SCHEMBL5429629 0.87 P2RX7 (0.57) P2RX7P2RY12
SCHEMBL7522787 0.86 P2RX7 (0.58) P2RX7P2RY12
SCHEMBL7450535 0.86 P2RX7 (0.50) P2RX7P2RY12
SCHEMBL7685175 0.86 P2RX7 (0.57) P2RX7P2RY12
SCHEMBL6571508 0.86 P2RX7 (0.64) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008157-A1 NEW COMBINATION 2 ASTRAZENECA AB (SE) 2007-01-18 WO claimed
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE AstraZeneca AB (SE) 2006-04-12 EP claimed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO claimed
US-20020193414-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-19 US claimed
EP-1240132-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-18 EP claimed
WO-2001042194-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-14 WO claimed
WO-2009019503-A2 P2X7 ANTAGONISTS FOR USE IN THE TREATMENT OF MOOD DISORDERS ASTRAZENECA AB (SE) 2009-02-12 WO disclosed
WO-2006083214-A1 PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A HMG-COA REDUCTASE INHIBITOR ASTRAZENECA AB (SE) 2006-08-10 WO disclosed
EP-1663224-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A NONSTEROIDAL ANTI INFLAMMATORY DRUG AstraZeneca AB (SE) 2006-06-07 EP 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
WO-2005025571-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 RECEPTOR ANTAGONIST AND A NONSTEROIDAL ANTI INFLAMMATORY DRUG. ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2004105796-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
WO-2004105797-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE ASTRAZENECA AB (SE) 2004-12-09 WO disclosed
US-20020193414-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-19 US disclosed
EP-1240132-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-18 EP disclosed
WO-2001042194-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-14 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-20020193414-A1 Adamantane derivatives APP, ADORA1, ADAM17 P2RX7 894/4885P2RY12 1601/4885

“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.