SCHEMBL1805709

SCHEMBL1805709

Nc1ccc2c(NC(=O)CC3CCCCC3)c(Cl)ccc2n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.66
EPHX2 P34913 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ROCK2 O75116 1/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
CSNK1D P48730 1/20 0.42
KCNJ11 Q14654 1/20 0.41
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL3843940 0.94 P2RX7 (0.60) P2RX7EPHX2L3MBTL1NPC1RAB9A
SCHEMBL3837459 0.91 P2RX7 (0.69) P2RX7EPHX2L3MBTL1NPC1RAB9A
SCHEMBL3839544 0.85 P2RX7 (0.65) P2RX7EPHX2L3MBTL1NPC1RAB9A
SCHEMBL3837070 0.83 P2RX7 (0.63) P2RX7EPHX2L3MBTL1NPC1RAB9A
SCHEMBL1804074 0.83 P2RX7 (0.62) P2RX7EPHX2L3MBTL1NPC1RAB9A
SCHEMBL1801630 0.82 P2RX7 (0.76) P2RX7EPHX2L3MBTL1NPC1RAB9A
SCHEMBL1803988 0.81 P2RX7 (0.58) P2RX7EPHX2L3MBTL1ROCK2
SCHEMBL1805790 0.81 P2RX7 (0.62) P2RX7EPHX2L3MBTL1NPC1RAB9A
SCHEMBL3838828 0.81 P2RX7 (0.80) P2RX7EPHX2L3MBTL1NPC1RAB9A
SCHEMBL3842165 0.81 P2RX7 (0.65) P2RX7EPHX2L3MBTL1NPC1RAB9A

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 1/4885EPHX2 1014/4885L3MBTL1 4883/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 P2RX7 1/4885EPHX2 1014/4885L3MBTL1 4883/4885

“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.