SCHEMBL5433736

SCHEMBL5433736

C[C@H](O)CNCCCc1cc(C(=O)NCC23CCCC(CCC2)C3)c(Cl)cn1.[CH2]

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.51
ABCB11 O95342 1/20 0.37

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
SCHEMBL5138454 1.00 P2RX7 (0.51) P2RX7ABCB11
SCHEMBL6449078 0.90 P2RX7 (0.63) P2RX7ABCB11
SCHEMBL5076144 0.90 P2RX7 (0.63) P2RX7ABCB11
SCHEMBL5710576 0.90 P2RX7 (0.63) P2RX7ABCB11
Hydrochloric Acid SCHEMBL5710666 0.89 P2RX7 (0.62) P2RX7ABCB11
Hydrochloric Acid SCHEMBL5710696 0.89 P2RX7 (0.62) P2RX7ABCB11
SCHEMBL5821316 0.88 P2RX7 (0.54) P2RX7
SCHEMBL4039802 0.88 P2RX7 (0.58) P2RX7
SCHEMBL7077845 0.85 P2RX7 (0.62) P2RX7ABCB11
SCHEMBL5710711 0.81 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501270-A 2007-01-25 JP claimed
US-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine ASTRAZENECA AB (SE) 2007-01-11 US 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-2004105798-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7-RECEPTOR ANTAGONIST AND A TUMOUR NECROSIS FACTOR α ASTRAZENECA AB (SE) 2004-12-09 WO claimed
EP-1644042-A1 A PHARMACEUTICAL COMPOSITION CONTAINING A P2X7 RECEPTOR ANTAGONIST AND METHOTREXATE 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-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

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-20070010497-A1 Pharmaceutical composition comprising a p2x7 antagonist and sulfasalazine P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 267/4885

“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.