SCHEMBL23949847

SCHEMBL23949847

COc1cccc(Cl)c1C(=O)NCC12CC3(F)CC(F)(CC(F)(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.58
P2RY12 Q9H244 1/20 0.58
SLC6A9 P48067 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL21769577 0.89 P2RX7 (0.63) P2RX7P2RY12SLC6A9POLB
SCHEMBL21769576 0.86 P2RX7 (0.63) P2RX7P2RY12
SCHEMBL23949841 0.83 P2RX7 (0.61) P2RX7P2RY12
SCHEMBL23949842 0.80 P2RX7 (0.43) P2RX7P2RY12SLC6A9POLB
SCHEMBL23949982 0.76 P2RX7 (0.65) P2RX7P2RY12
SCHEMBL21753383 0.74 P2RX7 (1.00) P2RX7P2RY12
SCHEMBL23949853 0.74 P2RX7 (0.83) P2RX7P2RY12
SCHEMBL23949831 0.73 P2RX7 (0.66) P2RX7P2RY12
SCHEMBL27336816 0.72 CA12 (0.52) TAAR1POLB
SCHEMBL7571850 0.71 P2RX7 (0.74) 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 1 patent. 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

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 4/4885P2RY12 14/4885SLC6A9 1696/4885

“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.