SCHEMBL4885873

SCHEMBL4885873

COc1ccc(Cl)c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 1.00
P2RY12 Q9H244 1/20 0.68

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
SCHEMBL4876590 0.89 P2RX7 (0.79) P2RX7P2RY12
SCHEMBL21753443 0.88 P2RX7 (1.00) P2RX7P2RY12
SCHEMBL6572116 0.86 P2RX7 (0.76) P2RX7
SCHEMBL4883532 0.86 P2RX7 (0.74) P2RX7P2RY12
SCHEMBL6571527 0.85 P2RX7 (0.74) P2RX7
SCHEMBL6574267 0.85 P2RX7 (1.00) P2RX7
SCHEMBL7568669 0.85 P2RX7 (0.73) P2RX7
SCHEMBL21753384 0.85 P2RX7 (1.00) P2RX7P2RY12
SCHEMBL7568675 0.84 P2RX7 (0.72) P2RX7
SCHEMBL7571588 0.84 P2RX7 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141034-A1 ADAMANTANE-1-CARBONYL THIOUREA, AS P2X RECEPTOR ANTAGONIST COMSATS University Islamabad (PK) 2023-05-11 US disclosed
US-20210323910-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2021-10-21 US disclosed
US-20210323910-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2021-10-21 US disclosed
WO-2020037350-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2020-02-27 WO disclosed
WO-2020037350-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2020-02-27 WO disclosed
WO-2008064432-A1 POLYCYCLIC MOLECULAR COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2008-06-05 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 (2 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-20230141034-A1 ADAMANTANE-1-CARBONYL THIOUREA, AS P2X RECEPTOR ANTAGONIST P2RX3, P2RX7, P2RX5 P2RX7 2/4885P2RY12 22/4885
US-20210323910-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS P2RX1, P2RX3, P2RX5 P2RX7 4/4885P2RY12 14/4885

“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.