SCHEMBL3840914

SCHEMBL3840914

O=C(NCCC1CCCCC1)c1c(Cl)ccc2ncccc12

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.80
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRL1 P41146 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
IL1B P01584 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL1805092 0.89 P2RX7 (1.00) P2RX7NPC1RAB9ACNR1CNR2
SCHEMBL3839490 0.83 P2RX7 (0.55) P2RX7NPC1RAB9AL3MBTL1KMT2A
SCHEMBL5808502 0.81 P2RX7 (0.53) P2RX7NPC1RAB9AL3MBTL1
SCHEMBL3841113 0.77 P2RX7 (0.48) P2RX7NPC1RAB9AL3MBTL1IL1B
SCHEMBL17327594 0.76 P2RX7 (0.64) P2RX7
SCHEMBL17327596 0.76 P2RX7 (1.00) P2RX7CNR1CNR2IL1B
SCHEMBL5123868 0.76 P2RX7 (0.57) P2RX7NPC1RAB9A
SCHEMBL1806533 0.75 P2RX7 (0.57) P2RX7
SCHEMBL1805255 0.75 P2RX7 (0.76) P2RX7CNR1CNR2KMT2A
SCHEMBL1813486 0.74 P2RX7 (0.58) 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 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 1/4885NPC1 797/4885RAB9A 2668/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885NPC1 797/4885RAB9A 2668/4885

“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.