SCHEMBL3840967

SCHEMBL3840967

Cc1ccc2nc(N3CC[C@@H](OS(C)(=O)=O)C3)ccc2c1NC(=O)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.46
KCNQ2 O43526 3/20 0.46
P2RX7 Q99572 4/20 0.42
PTGER4 P35408 5/20 0.40
ALDH1A1 P00352 1/20 0.38
GBA1 P04062 1/20 0.37
HSD11B1 P28845 1/20 0.37
IDH1 O75874 3/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL3841342 0.92 P2RX7 (0.52) KCNQ3KCNQ2P2RX7ALDH1A1
SCHEMBL3843919 0.92 P2RX7 (0.52) KCNQ3KCNQ2P2RX7ALDH1A1
SCHEMBL3836999 0.88 P2RX7 (0.50) KCNQ3KCNQ2P2RX7HSD11B1IDH1
SCHEMBL13813697 0.87 P2RX7 (0.55) KCNQ3KCNQ2P2RX7PTGER4GBA1
SCHEMBL1803661 0.87 P2RX7 (0.55) KCNQ3KCNQ2P2RX7PTGER4GBA1
SCHEMBL1803060 0.84 P2RX7 (0.44) KCNQ3KCNQ2P2RX7PTGER4GBA1
SCHEMBL4510059 0.84 P2RX7 (0.51) P2RX7
SCHEMBL4510063 0.84 P2RX7 (0.51) P2RX7
SCHEMBL1807288 0.81 P2RX7 (0.49) KCNQ3KCNQ2P2RX7PTGER4GBA1
SCHEMBL5822305 0.81 P2RX7 (0.45) KCNQ3KCNQ2P2RX7PTGER4GBA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP disclosed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 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 (2 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-20060293337-A1 P2x7 receptor antagonists and their use P2RX7, P2RX1, P2RX2 KCNQ3 234/4885KCNQ2 159/4885P2RX7 1/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 KCNQ3 234/4885KCNQ2 159/4885P2RX7 1/4885

“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.