SCHEMBL5813093

SCHEMBL5813093

Cc1ccccc1Cn1nnnc1-c1cccc(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 1.00
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
TRPA1 O75762 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL5815683 0.89 P2RX7 (0.81) P2RX7IDO1TDO2LMNA
SCHEMBL5810456 0.86 P2RX7 (0.74) P2RX7ALDH1A1NPSR1
SCHEMBL5815057 0.85 P2RX7 (0.74) P2RX7ALDH1A1LMNATRPA1SIGMAR1
SCHEMBL6356183 0.84 P2RX7 (0.82) P2RX7IDO1TDO2ALDH1A1LMNA
SCHEMBL5801683 0.83 P2RX7 (0.71) P2RX7IDO1TDO2
SCHEMBL5814515 0.83 P2RX7 (1.00) P2RX7IDO1TDO2TRPA1SIGMAR1
SCHEMBL6361116 0.82 P2RX7 (0.68) P2RX7ALDH1A1
SCHEMBL5811097 0.81 P2RX7 (0.77) P2RX7IDO1TDO2TRPA1SIGMAR1
SCHEMBL5816902 0.81 P2RX7 (0.67) P2RX7IDO1TDO2ALDH1A1NPSR1
SCHEMBL5802163 0.80 P2RX7 (0.67) P2RX7IDO1TDO2ALDH1A1NPSR1

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 3/4885IDO1 1534/4885TDO2 2216/4885

“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.