SCHEMBL7570486

SCHEMBL7570486

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.64
HDAC11 Q96DB2 1/20 0.60
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C9 P11712 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.52
CA2 P00918 1/20 0.52
NPC1 O15118 1/20 0.52
RECQL P46063 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
SCHEMBL8071740 0.83 NPC1 (0.53) P2RX7HDAC11ALDH1A1MEN1KMT2A
SCHEMBL7570184 0.80 P2RX7 (0.65) P2RX7HDAC11ALDH1A1MEN1KMT2A
SCHEMBL7569576 0.78 P2RX7 (1.00) P2RX7ALDH1A1MEN1KMT2ACA2
SCHEMBL4885873 0.77 P2RX7 (1.00) P2RX7
SCHEMBL14086740 0.76 ALDH1A1 (0.62) P2RX7HDAC11ALDH1A1MEN1KMT2A
SCHEMBL30925378 0.75 HDAC11 (1.00) P2RX7HDAC11ALDH1A1CYP2C9HPGD
SCHEMBL19321961 0.75 P2RX7 (0.63) P2RX7HDAC11ALDH1A1MEN1KMT2A
SCHEMBL3454922 0.75 P2RX7 (1.00) P2RX7CA2
SCHEMBL19354785 0.74 P2RX7 (0.72) P2RX7HDAC11ALDH1A1MEN1KMT2A
SCHEMBL7571850 0.74 P2RX7 (0.74) P2RX7HDAC11ALDH1A1MEN1KMT2A

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 9 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-20010003121-A1 Novel compounds ASTRAZENECA UK LIMITED 2001-06-07 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

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 4102/4885ALDH1A1 1215/4885

“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.