SCHEMBL7570129

SCHEMBL7570129

COc1cc(OC)c(C)c(C(=O)NCC23CC4CC(CC(Cl)(C4)C2)C3)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.56
HDAC11 Q96DB2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RY12 Q9H244 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL7570184 0.88 P2RX7 (0.65) P2RX7HDAC11MEN1ALDH1A1KMT2A
SCHEMBL7577116 0.75 P2RX7 (0.55) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL21753443 0.71 P2RX7 (1.00) P2RX7P2RY12
SCHEMBL7570164 0.71 P2RX7 (0.77) P2RX7
SCHEMBL4885873 0.70 P2RX7 (1.00) P2RX7P2RY12
SCHEMBL23949981 0.69 P2RX7 (0.69) P2RX7HDAC11LMNAP2RY12SCN9A
SCHEMBL23949851 0.69 P2RX7 (0.85) P2RX7HDAC11P2RY12SCN9A
SCHEMBL21376621 0.69 ALDH1A1 (0.66) P2RX7ALDH1A1KMT2A
SCHEMBL7570486 0.69 P2RX7 (0.64) P2RX7HDAC11MEN1ALDH1A1KMT2A
SCHEMBL23949833 0.67 P2RX7 (0.66) P2RX7HDAC11KMT2AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 US claimed
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 claimed
EP-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP disclosed
US-6303659-B2 Compounds ASTRAZENECA AB (SE) 2001-10-16 US disclosed
US-6258838-B1 Compounds ASTRAZENECA AB (SE) 2001-07-10 US 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
EP-1036059-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP disclosed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 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 (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 311/4885HDAC11 4102/4885LMNA 2103/4885

“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.