SCHEMBL21769865

SCHEMBL21769865

O=C(NCC12CC3CC(F)(CC(F)(C3)C1)C2)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.66
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL21769900 0.88 P2RX7 (0.72) P2RX7CA2FAAH
SCHEMBL21769866 0.86 P2RX7 (0.59) P2RX7LMNAGAA
SCHEMBL12858228 0.81 P2RX7 (0.66) P2RX7CA2LMNA
SCHEMBL3454922 0.80 P2RX7 (1.00) P2RX7CA2FAAH
SCHEMBL7514220 0.74 P2RX7 (0.68) P2RX7CA2LMNAGAA
SCHEMBL23949831 0.74 P2RX7 (0.66) P2RX7
SCHEMBL21769577 0.74 P2RX7 (0.63) P2RX7
SCHEMBL31374410 0.73 P2RX7 (0.72) P2RX7
SCHEMBL30848447 0.71 LMNA (0.59) P2RX7LMNAGAA
SCHEMBL23949843 0.71 P2RX7 (0.85) 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-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

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-20210323910-A1 ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS P2RX1, P2RX3, P2RX5 P2RX7 4/4885CA2 1423/4885LMNA 1660/4885

“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.