SCHEMBL5814945

SCHEMBL5814945

Cc1ccncc1Cn1nnnc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.66
TRPA1 O75762 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
POLB P06746 2/20 0.43
HRH1 P35367 1/20 0.40

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
SCHEMBL5799401 0.82 P2RX7 (0.65) P2RX7TRPA1SIGMAR1GRIN1GRIN2B
SCHEMBL5810061 0.81 P2RX7 (0.74) P2RX7TRPA1SIGMAR1
SCHEMBL5815008 0.80 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL5917673 0.79 P2RX7 (0.69) P2RX7TRPA1SIGMAR1POLBHRH1
Hydrochloric Acid SCHEMBL5816009 0.79 P2RX7 (0.98) P2RX7TRPA1SIGMAR1
SCHEMBL6357648 0.76 P2RX7 (0.77) P2RX7TRPA1SIGMAR1
SCHEMBL6358951 0.76 P2RX7 (0.56) P2RX7POLB
SCHEMBL6355213 0.76 P2RX7 (0.56) P2RX7POLB
SCHEMBL6356814 0.74 P2RX7 (0.56) P2RX7TRPA1SIGMAR1POLB
SCHEMBL6356252 0.74 P2RX7 (0.66) P2RX7TRPA1SIGMAR1

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.