SCHEMBL3836987

SCHEMBL3836987

CC(C)(C)[Si](C)(C)OCCN[C@H]1CCN(c2ccc3c(NC(=O)CCC4CCCC4)c(Cl)ccc3n2)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.45
GBA1 P04062 1/20 0.42
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
MCHR1 Q99705 1/20 0.37
IDH1 O75874 1/20 0.36

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
SCHEMBL3836554 0.89 P2RX7 (0.47) P2RX7IDH1
SCHEMBL5123901 0.88 P2RX7 (0.47) P2RX7MCHR1
SCHEMBL1802502 0.87 P2RX7 (0.57) P2RX7GBA1KCNQ3KCNQ2MCHR1
SCHEMBL1802141 0.86 P2RX7 (0.56) P2RX7GBA1KCNQ3KCNQ2MCHR1
SCHEMBL5128960 0.85 P2RX7 (0.53) P2RX7MCHR1
SCHEMBL3840983 0.84 P2RX7 (0.62) P2RX7
SCHEMBL5128962 0.83 P2RX7 (0.47) P2RX7MCHR1
SCHEMBL5123905 0.83 P2RX7 (0.45) P2RX7MCHR1
SCHEMBL3839460 0.80 P2RX7 (0.58) P2RX7
SCHEMBL1807800 0.80 P2RX7 (0.54) P2RX7KCNQ3KCNQ2IDH1

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 P2RX7 1/4885GBA1 2220/4885KCNQ3 234/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885GBA1 2220/4885KCNQ3 234/4885

“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.