SCHEMBL5816902

SCHEMBL5816902

Cc1ccccc1Cn1nnnc1-c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.67
HSD11B1 P28845 7/20 0.49
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KCNN4 O15554 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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 0.91 P2RX7 (0.67) P2RX7HSD11B1IDO1TDO2ALDH1A1
SCHEMBL5810456 0.86 P2RX7 (0.74) P2RX7HSD11B1ALDH1A1KCNN4KDM4E
SCHEMBL5815683 0.84 P2RX7 (0.81) P2RX7IDO1TDO2KCNN4
SCHEMBL5810224 0.82 P2RX7 (0.63) P2RX7HSD11B1ALDH1A1KCNN4
SCHEMBL6355267 0.82 P2RX7 (0.57) P2RX7HSD11B1IDO1TDO2KCNN4
SCHEMBL5813093 0.81 P2RX7 (1.00) P2RX7IDO1TDO2ALDH1A1NPSR1
SCHEMBL6356183 0.80 P2RX7 (0.82) P2RX7HSD11B1IDO1TDO2ALDH1A1
SCHEMBL5801683 0.79 P2RX7 (0.71) P2RX7HSD11B1IDO1TDO2KCNN4
SCHEMBL5809333 0.79 P2RX7 (0.58) P2RX7HSD11B1KCNN4
SCHEMBL6362702 0.78 HSD11B1 (0.58) P2RX7HSD11B1KCNN4

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 3 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

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 2603/4885IDO1 1534/4885

“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.