SCHEMBL4881098

SCHEMBL4881098

O=C(O)C1CCCN(c2ncccc2Br)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 2/20 0.45
NOTUM Q6P988 3/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A1 P30531 1/20 0.42

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
SCHEMBL4880724 0.86 KDM4E (0.44) KDM4EALDH1A1KMT2AELANENOTUM
SCHEMBL4879872 0.83 KDM4E (0.60) DYRK1AKDM4EALDH1A1KMT2AELANE
SCHEMBL27684341 0.82 NPSR1 (0.55) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL19826844 0.78 LRRK2 (0.48) DYRK1AKDM4EALDH1A1HSD17B10MEN1
SCHEMBL926696 0.77 GPBAR1 (0.57) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL30686330 0.77 GPBAR1 (0.57) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4881013 0.76 SMN1; SMN2 (0.67) ALDH1A1HSD17B10KMT2ASMN1; SMN2MALT1
SCHEMBL20406252 0.75 CYP1A2 (0.53) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL27703385 0.75 CYP1A2 (0.49) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL26107713 0.74 NOTUM (0.59) KDM4EALDH1A1HSD17B10MEN1KMT2A

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 3 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
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 DYRK1A 1307/4885KDM4E 4115/4885ALDH1A1 744/4885

“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.