SCHEMBL3842339

SCHEMBL3842339

O=C(CCC1CCCC1)Nc1c(Cl)ccc2nc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.53
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GBA1 P04062 1/20 0.43
ALPL P05186 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3839511 0.99 P2RX7 (0.55) P2RX7NPC1RAB9AALDH1A1HTT
SCHEMBL3837459 0.87 P2RX7 (0.69) P2RX7NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1813063 0.81 P2RX7 (0.51) P2RX7NPC1RAB9AALDH1A1HTT
SCHEMBL1804350 0.81 P2RX7 (0.65) P2RX7NPC1RAB9AALDH1A1TP53
SCHEMBL1804173 0.81 P2RX7 (0.51) P2RX7NPC1RAB9AALDH1A1HTT
SCHEMBL5747310 0.80 P2RX7 (0.54) P2RX7GBA1KCNQ3KCNQ2
SCHEMBL1804596 0.80 P2RX7 (0.54) P2RX7GBA1KCNQ3KCNQ2
SCHEMBL1801969 0.79 P2RX7 (0.54) P2RX7ALDH1A1TP53GBA1KCNQ3
SCHEMBL3840972 0.79 P2RX7 (0.54) P2RX7ALDH1A1TP53GBA1KCNQ3
SCHEMBL3837162 0.79 P2RX7 (0.49) P2RX7NPC1RAB9AALDH1A1TP53

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.