SCHEMBL4880388

SCHEMBL4880388

N#CC1CN(c2ncccc2Br)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KCNMA1 Q12791 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
GRM1 Q13255 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
PDE10A Q9Y233 2/20 0.34
DPP4 P27487 2/20 0.34
PREP P48147 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GRIA1 P42261 1/20 0.33

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
SCHEMBL30511942 0.81 DPP4 (0.46) ALDH1A1KDM4ERECQLMALT1DPP4
SCHEMBL4880417 0.78 PDE10A (0.39) GRM1MALT1PDE10A
SCHEMBL4778176 0.75 MALT1 (0.34) MALT1
SCHEMBL4880724 0.73 KDM4E (0.44) ALDH1A1KDM4ERECQLMALT1
SCHEMBL26879597 0.73 CHRM3 (0.39) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19785535 0.72 CHRM4 (0.37) ALDH1A1KDM4EPDE10ADPP4CHRM3
SCHEMBL20406252 0.72 CYP1A2 (0.53) ALDH1A1KDM4E
SCHEMBL27703385 0.72 CYP1A2 (0.49) ALDH1A1KDM4EMALT1
SCHEMBL2008677 0.69 MALT1 (0.46) KCNMA1KDM4ERECQLMALT1PDE10A
Hydrochloric Acid SCHEMBL10966722 0.69 EPHX2 (0.56) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
CN-101052625-A As P2X7Adamantyl derivatives of receptor antagonists ASTRAZENECA AB (SE) 2007-10-10 CN disclosed
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 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-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 ALDH1A1 744/4885KCNMA1 271/4885KDM4E 4115/4885

“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.