SCHEMBL3596887

SCHEMBL3596887

COc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 1.00
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LPO P22079 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3586280 0.85 P2RX7 (0.74) P2RX7
SCHEMBL3595866 0.84 P2RX7 (1.00) P2RX7
SCHEMBL3581466 0.83 P2RX7 (0.76) P2RX7
SCHEMBL3595141 0.82 P2RX7 (0.72) P2RX7HTTLMNA
SCHEMBL3591167 0.82 P2RX7 (0.76) P2RX7
SCHEMBL3588319 0.79 P2RX7 (1.00) P2RX7
SCHEMBL3598129 0.78 P2RX7 (1.00) P2RX7
SCHEMBL3600961 0.77 P2RX7 (0.76) P2RX7
SCHEMBL3593918 0.77 P2RX7 (0.78) P2RX7
SCHEMBL3579763 0.77 P2RX7 (0.73) P2RX7

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-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 P2RX7 1/4885HTT 3489/4885SMN1; SMN2 2836/4885

“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.