SCHEMBL1802137

SCHEMBL1802137

O=C(CCC1CCCC1)Nc1cccc2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.63
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
RECQL P46063 1/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CLK1 P49759 1/20 0.51

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
SCHEMBL1803010 0.86 P2RX7 (0.78) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL30685736 0.81 POLB (0.64) ALDH1A1SMN1; SMN2HTTLMNAMEN1
SCHEMBL2639033 0.79 ALDH1A1 (0.70) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL4861658 0.79 ALDH1A1 (0.70) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL9186736 0.79 ALDH1A1 (0.79) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2639029 0.79 ALDH1A1 (0.70) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL1805838 0.77 P2RX7 (1.00) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6911011 0.77 MEN1 (0.59) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL30858814 0.77 ALDH1A1 (0.67) P2RX7ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL8402846 0.76 ALDH1A1 (0.74) P2RX7ALDH1A1SMN1; SMN2HTTLMNA

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 1/4885ALDH1A1 1580/4885SMN1; SMN2 4296/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885ALDH1A1 1580/4885SMN1; SMN2 4296/4885

“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.