SCHEMBL1803010

SCHEMBL1803010

O=C(CC1CCCCC1)Nc1cccc2ncccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.78
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RECQL P46063 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
CLK1 P49759 1/20 0.52
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
GAA P10253 1/20 0.51
EPHX2 P34913 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL1805838 0.88 P2RX7 (1.00) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL1802137 0.86 P2RX7 (0.63) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6911011 0.81 MEN1 (0.59) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL30685737 0.80 TDP1 (0.63) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14583955 0.78 P2RX7 (0.61) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6030652 0.77 ALDH1A1 (0.74) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6030648 0.77 ALDH1A1 (0.74) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL21296583 0.77 ALDH1A1 (0.74) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL29728211 0.77 ALDH1A1 (1.00) P2RX7ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8402846 0.77 ALDH1A1 (0.74) P2RX7ALDH1A1SMN1; SMN2LMNAHTT

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.