SCHEMBL6054751

SCHEMBL6054751

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.70
TSHR P16473 2/20 0.65
THRB P10828 1/20 0.56
USP2 O75604 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA2 P00918 1/20 0.54
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL14764889 0.83 P2RX7 (0.73) P2RX7MEN1KMT2ACA2
SCHEMBL3454922 0.83 P2RX7 (1.00) P2RX7CA2
SCHEMBL5431054 0.80 P2RX7 (0.60) P2RX7MEN1KMT2ACA2
SCHEMBL23902890 0.79 TSHR (1.00) TSHRUSP2MEN1KMT2ATP53
SCHEMBL21082070 0.79 CYP17A1 (0.61) P2RX7TSHRTHRBUSP2MEN1
SCHEMBL7570202 0.76 P2RX7 (1.00) P2RX7CA2TP53
SCHEMBL19354785 0.76 P2RX7 (0.72) P2RX7MEN1KMT2ACA2
SCHEMBL17483924 0.76 P2RX7 (0.75) P2RX7CA2
SCHEMBL4879622 0.74 P2RX7 (0.73) P2RX7CA2
SCHEMBL7667554 0.74 P2RX7 (0.62) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644041-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE AstraZeneca AB (SE) 2006-04-12 EP claimed
WO-2004105797-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A P2X7 ANTAGONIST AND SULFASALAZINE ASTRAZENECA AB (SE) 2004-12-09 WO claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
US-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 US claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed
US-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 US disclosed
US-6201024-B1 EFFECTIVE P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISORDERS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US 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 (1 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-20010003121-A1 Novel compounds APP, BACE1, CHRNA5 P2RX7 311/4885TSHR 3980/4885THRB 4413/4885

“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.