SCHEMBL7571532

SCHEMBL7571532

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccnc1NCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.54
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
Hydrochloric Acid SCHEMBL7576460 0.83 ALDH1A1 (0.43) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7568729 0.82 P2RX7 (0.54) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7572019 0.80 P2RX7 (0.62) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7570552 0.79 TSHR (0.56) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7570503 0.75 P2RX7 (0.61) P2RX7
SCHEMBL5948089 0.75 EPHX2 (0.55) ALDH1A1HPGD
SCHEMBL3458610 0.75 P2RX7 (0.68) P2RX7ALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7576513 0.74 P2RX7 (0.60) P2RX7
SCHEMBL1523240 0.73 KDM5A (0.58) P2RX7KMT2A
SCHEMBL7572059 0.72 P2RX7 (0.60) P2RX7ALDH1A1MEN1KMT2AKDM4E

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-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-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 311/4885ALDH1A1 1215/4885MEN1 1930/4885

“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.