SCHEMBL7571525

SCHEMBL7571525

NCCSc1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.55
HSD11B1 P28845 1/20 0.50
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL7572059 0.84 P2RX7 (0.60) P2RX7KMT2AKDM4EMEN1ALDH1A1
SCHEMBL3652741 0.83 P2RX7 (0.49) P2RX7HSD11B1KMT2AKDM4EMEN1
SCHEMBL7570015 0.79 P2RX7 (0.54) P2RX7KMT2AKDM4EMEN1ALDH1A1
SCHEMBL7571707 0.79 P2RX7 (0.57) P2RX7KMT2AKDM4EMEN1ALDH1A1
SCHEMBL3458610 0.78 P2RX7 (0.68) P2RX7KMT2AKDM4EMEN1ALDH1A1
SCHEMBL7569262 0.77 P2RX7 (0.57) P2RX7KMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL7577511 0.77 P2RX7 (0.41) P2RX7KMT2AKDM4EMEN1ALDH1A1
SCHEMBL7571682 0.76 ALDH1A1 (0.60) P2RX7KMT2AMEN1ALDH1A1
SCHEMBL7572019 0.76 P2RX7 (0.62) P2RX7KMT2AKDM4EMEN1ALDH1A1
SCHEMBL13958643 0.75 P2RX7 (0.58) P2RX7KMT2AKDM4EMEN1ALDH1A1

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-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-A1 ADAMANTANE DERIVATIVES AstraZeneca UK Limited (GB) 2000-09-20 EP claimed
WO-1999029661-A1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO 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 311/4885HSD11B1 1144/4885KMT2A 4437/4885

“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.