SCHEMBL23949843

SCHEMBL23949843

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

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.85
P2RY12 Q9H244 1/20 0.67
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42

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
SCHEMBL21753384 0.92 P2RX7 (1.00) P2RX7P2RY12
SCHEMBL23949851 0.91 P2RX7 (0.85) P2RX7P2RY12
SCHEMBL23949853 0.89 P2RX7 (0.83) P2RX7P2RY12FLT1FLT4KDR
SCHEMBL21753443 0.82 P2RX7 (1.00) P2RX7P2RY12
SCHEMBL23949980 0.81 P2RX7 (0.68) P2RX7P2RY12
SCHEMBL21753383 0.80 P2RX7 (1.00) P2RX7P2RY12TYK2
SCHEMBL23949831 0.79 P2RX7 (0.66) P2RX7P2RY12JAK2
SCHEMBL23950061 0.79 P2RX7 (0.56) P2RX7P2RY12FLT1FLT4KDR
SCHEMBL31374410 0.78 P2RX7 (0.72) P2RX7P2RY12
SCHEMBL21769577 0.77 P2RX7 (0.63) P2RX7P2RY12

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 14/4885FLT1 1987/4885

“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.