SCHEMBL5553017

SCHEMBL5553017

CS(=O)(=O)OC[C@@H](O)CCc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.61

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
SCHEMBL5555108 1.00 P2RX7 (0.61) P2RX7
SCHEMBL4128412 0.85 P2RX7 (0.66) P2RX7
SCHEMBL5549843 0.85 P2RX7 (0.67) P2RX7
SCHEMBL5549326 0.85 P2RX7 (0.67) P2RX7
SCHEMBL5555101 0.84 P2RX7 (0.82) P2RX7
SCHEMBL5553043 0.84 P2RX7 (0.82) P2RX7
SCHEMBL5549346 0.83 P2RX7 (0.67) P2RX7
SCHEMBL14497213 0.83 P2RX7 (0.67) P2RX7
SCHEMBL5553039 0.83 P2RX7 (0.67) P2RX7
SCHEMBL4122066 0.81 P2RX7 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7227038-B2 Adamantane derivatives, processes for their preparation and pharmaceutical composition containing them ASTRAZENECA AB (SE) 2007-06-05 US disclosed
US-20060160904-A1 Adamantane derivatives, processes for their preparation and pharmaceutical composition containing them ASTRAZENECA AB (SE) 2006-07-20 US 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-20060160904-A1 Adamantane derivatives, processes for their preparation and pharmaceutical composition containing them BACE1, ADORA1, ADRA1D P2RX7 640/4885

“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.