SCHEMBL5515290

SCHEMBL5515290

COc1ccc(C)c(NC(=O)CC2C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.64
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.43
ANO1 Q5XXA6 1/20 0.43

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
SCHEMBL6860227 0.78 P2RX7 (1.00) P2RX7LMNAMAPTMAPK1
SCHEMBL6939824 0.76 P2RX7 (0.71) P2RX7ALDH1A1LMNAGAAMAPT
SCHEMBL7930528 0.74 P2RX7 (0.59) P2RX7ALDH1A1LMNAGAAMAPT
SCHEMBL31554508 0.74 P2RX7 (0.59) P2RX7ALDH1A1LMNAGAAMAPT
SCHEMBL6939799 0.74 P2RX7 (0.59) P2RX7ALDH1A1LMNAGAAMAPT
SCHEMBL6941775 0.74 P2RX7 (0.74) P2RX7ALDH1A1LMNAGAAMAPT
SCHEMBL9095943 0.73 POLB (0.64) P2RX7ALDH1A1LMNAGAAKMT2A
SCHEMBL9095157 0.72 ALDH1A1 (0.61) P2RX7ALDH1A1LMNAGAAMAPT
SCHEMBL6943094 0.72 P2RX7 (0.78) P2RX7ALDH1A1LMNAGAAMAPT
SCHEMBL3704664 0.72 GAA (0.61) P2RX7ALDH1A1LMNAGAAMAPT

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-20070037830-A1 2-Adamantyl derivatives as p2X7 receptor antagonists. ASTRAZENECA AB (SE) 2007-02-15 US claimed
JP-2007501782-A 2007-02-01 JP claimed
EP-1654217-A1 2- ADAMANTYL DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS. AstraZeneca AB (SE) 2006-05-10 EP claimed
WO-2005014529-A1 2- ADAMANTYL DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS. ASTRAZENECA AB (SE) 2005-02-17 WO claimed
US-20070037830-A1 2-Adamantyl derivatives as p2X7 receptor antagonists. ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037830-A1 2-Adamantyl derivatives as p2X7 receptor antagonists. ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037830-A1 2-Adamantyl derivatives as p2X7 receptor antagonists. ASTRAZENECA AB (SE) 2007-02-15 US disclosed
EP-1654217-A1 2- ADAMANTYL DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS. AstraZeneca AB (SE) 2006-05-10 EP disclosed
WO-2005014529-A1 2- ADAMANTYL DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS. ASTRAZENECA AB (SE) 2005-02-17 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-20070037830-A1 2-Adamantyl derivatives as p2X7 receptor antagonists. P2RX2, P2RX3, P2RX7 P2RX7 3/4885ALDH1A1 2254/4885LMNA 297/4885

“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.