SCHEMBL5815022

SCHEMBL5815022

Cc1ncccc1Cn1nnnc1-c1cccc(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 1.00
TRPA1 O75762 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL5813357 0.99 P2RX7 (0.98) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL12878445 0.87 P2RX7 (0.77) P2RX7TRPA1SIGMAR1
SCHEMBL6358683 0.86 P2RX7 (0.80) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5815194 0.84 P2RX7 (0.82) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5814515 0.84 P2RX7 (1.00) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL12878441 0.82 P2RX7 (0.69) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5810375 0.82 P2RX7 (0.70) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5917673 0.82 P2RX7 (0.69) P2RX7TRPA1SIGMAR1
SCHEMBL5802261 0.80 P2RX7 (1.00) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5917667 0.80 P2RX7 (0.75) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4

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 2 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 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 3/4885TRPA1 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.