SCHEMBL4880724

SCHEMBL4880724

O=C(O)C1CN(c2ncccc2Br)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 1/20 0.44
MALT1 Q9UDY8 3/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 3/20 0.41
KMT2A Q03164 1/20 0.40
NEK2 P51955 1/20 0.40
TRPV1 Q8NER1 2/20 0.38
ELANE P08246 1/20 0.38
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4881098 0.86 DYRK1A (0.48) KDM4ECYP2C19MALT1NOTUMKMT2A
SCHEMBL4879872 0.85 KDM4E (0.60) KDM4ECYP2C19MALT1L3MBTL1NOTUM
SCHEMBL27684344 0.82 MALT1 (0.48) KDM4EMALT1TRPV1
SCHEMBL4880417 0.80 PDE10A (0.39) MALT1KMT2ATRPV1
SCHEMBL27684343 0.77 MALT1 (0.41) MALT1KMT2ATRPV1
SCHEMBL21384360 0.75 TRPV1 (0.51) KDM4ETDP1KMT2ATRPV1ALDH1A1
SCHEMBL28449100 0.74 KDM4E (0.68) KDM4ECYP2C19NOTUMKMT2AALDH1A1
SCHEMBL4778176 0.74 MALT1 (0.34) MALT1TRPV1
SCHEMBL4880388 0.73 ALDH1A1 (0.44) KDM4EMALT1RECQLALDH1A1
SCHEMBL1728915 0.73 KMT2A (0.50) KDM4ECYP2C19MALT1POLBKMT2A

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 KDM4E 4115/4885CYP2C19 1390/4885MALT1 3949/4885

“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.