SCHEMBL1805255

SCHEMBL1805255

Cc1ccc2ncccc2c1C(=O)NCC1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.76
CNR1 P21554 6/20 0.52
CNR2 P34972 5/20 0.52
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
BCL2A1 Q16548 1/20 0.47
KMT2A Q03164 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PANK1 Q8TE04 1/20 0.43
PANK3 Q9H999 1/20 0.43
RIPK2 O43353 1/20 0.43

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 0.86 P2RX7 (1.00) P2RX7CNR1CNR2KMT2A
SCHEMBL3840909 0.81 P2RX7 (0.55) P2RX7CNR1BCL2BCL2L1MCL1
SCHEMBL3841343 0.80 CNR1 (0.66) P2RX7CNR1CNR2
SCHEMBL3840914 0.75 P2RX7 (0.80) P2RX7CNR1CNR2KMT2A
SCHEMBL17327519 0.73 P2RX7 (0.62) P2RX7CNR1CNR2HTR2AHTR2C
SCHEMBL17327596 0.73 P2RX7 (1.00) P2RX7CNR1CNR2
SCHEMBL5188279 0.73 CNR1 (0.75) CNR1CNR2
SCHEMBL22972340 0.73 AR (0.59) P2RX7CNR1CNR2KMT2ARIPK2
SCHEMBL5747142 0.73 P2RX7 (0.54) P2RX7BCL2BCL2L1MCL1BCL2A1
SCHEMBL1804304 0.73 P2RX7 (0.54) P2RX7BCL2BCL2L1MCL1BCL2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4682128-B2 2011-05-11 JP claimed
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP claimed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US claimed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 US claimed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP claimed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 WO claimed
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP disclosed
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-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US 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-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 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 1/4885CNR1 37/4885CNR2 41/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885CNR1 37/4885CNR2 41/4885

“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.