SCHEMBL5815071

SCHEMBL5815071

Clc1ccc(Cn2nnnc2-c2ccccc2Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.69
TRPA1 O75762 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDO2 P48775 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5815858 0.91 P2RX7 (0.81) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5808815 0.88 P2RX7 (0.82) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL6356874 0.87 P2RX7 (0.64) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5810903 0.87 P2RX7 (0.80) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL6357185 0.85 P2RX7 (0.78) P2RX7TRPA1SIGMAR1
SCHEMBL6358346 0.85 P2RX7 (0.62) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL6357205 0.85 P2RX7 (0.62) P2RX7TRPA1SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5808855 0.83 P2RX7 (0.81) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5813903 0.83 P2RX7 (0.67) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5815409 0.83 POLB (0.56) P2RX7TRPA1SIGMAR1HTTNPC1

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 3/4885TRPA1 31/4885SIGMAR1 63/4885

“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.