SCHEMBL23949841

SCHEMBL23949841

COc1cccc(C(=O)NCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.61
P2RY12 Q9H244 1/20 0.61
JAK2 O60674 1/20 0.48
EZH2 Q15910 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL23949831 0.89 P2RX7 (0.66) P2RX7P2RY12JAK2EZH2KMT2A
SCHEMBL23949833 0.86 P2RX7 (0.66) P2RX7P2RY12KMT2A
SCHEMBL23949847 0.83 P2RX7 (0.58) P2RX7P2RY12
SCHEMBL23949982 0.81 P2RX7 (0.65) P2RX7P2RY12ALDH1A1
SCHEMBL23949830 0.80 P2RX7 (0.45) P2RX7P2RY12MEN1KMT2AALDH1A1
SCHEMBL23949829 0.80 P2RX7 (0.46) P2RX7P2RY12
SCHEMBL7217917 0.76 LMNA (0.60) P2RX7JAK2EZH2
SCHEMBL23949853 0.76 P2RX7 (0.83) P2RX7P2RY12JAK2MEN1KMT2A
SCHEMBL21753383 0.76 P2RX7 (1.00) P2RX7P2RY12MEN1KMT2A
SCHEMBL23949832 0.75 P2RX7 (0.46) P2RX7JAK2EZH2MEN1KMT2A

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 14/4885JAK2 2433/4885

“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.