SCHEMBL5809333

SCHEMBL5809333

Fc1cccc(-c2nnnn2Cc2ccccc2C(F)(F)F)c1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.58
HSD11B1 P28845 1/20 0.53
KCNN4 O15554 3/20 0.47
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
NR1I2 O75469 1/20 0.40
NR3C1 P04150 1/20 0.40
RORC P51449 1/20 0.40
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
SCHEMBL5802163 0.85 P2RX7 (0.67) P2RX7HSD11B1KCNN4POLB
SCHEMBL5801683 0.84 P2RX7 (0.71) P2RX7HSD11B1KCNN4
SCHEMBL5810456 0.83 P2RX7 (0.74) P2RX7HSD11B1KCNN4NR1H2NR1H3
SCHEMBL5917661 0.80 P2RX7 (0.64) P2RX7HSD11B1KCNN4
SCHEMBL5917600 0.79 P2RX7 (0.64) P2RX7
SCHEMBL5816902 0.79 P2RX7 (0.67) P2RX7HSD11B1KCNN4
SCHEMBL5810445 0.78 P2RX7 (0.51) P2RX7NR1H2NR1H3
SCHEMBL6361666 0.76 P2RX7 (0.58) P2RX7HSD11B1KCNN4
SCHEMBL5810224 0.74 P2RX7 (0.63) P2RX7HSD11B1KCNN4POLB
SCHEMBL5801354 0.74 P2RX7 (1.00) P2RX7POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 US claimed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 WO claimed
US-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 US disclosed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 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-20060211739-A1 Use of selective P2X7 receptor antagonists P2RX1, P2RX3, P2RX7 P2RX7 3/4885HSD11B1 2603/4885KCNN4 818/4885

“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.