SCHEMBL4882919

SCHEMBL4882919

O=C(O)c1ccc(Cl)nc1NCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH3 Q9ULD8 1/20 0.37
CDC25A P30304 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
CDK1 P06493 1/20 0.35
BRD4 O60885 1/20 0.35
PDE5A O76074 1/20 0.35
NUDT1 P36639 1/20 0.35

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
SCHEMBL720894 0.80 GABRP (0.42) MEN1KMT2ASMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL3055137 0.78 CSNK2A1 (0.45) CSNK2A2CSNK2BCSNK2A1MAPTRAD52
Fluoride SCHEMBL3339659 0.78 GABRP (0.41) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL31110232 0.77 STK17B (0.56) MEN1KMT2ABRD4
SCHEMBL898592 0.75 GABRP (0.43) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL10151931 0.75 KDM4C (0.49) MAPTKDM4C
SCHEMBL3055165 0.74 KDM5B (0.49) KDM4DMEN1KMT2ACSNK2A1KDM4C
SCHEMBL1400665 0.73 STK17A (0.41) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL1630246 0.72 CSNK2A2 (0.49) MEN1KMT2ACSNK2A2CSNK2A1MAPT
SCHEMBL23183169 0.71 MAPT (0.44) MEN1KMT2ASMN1; SMN2MAPTHTT

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 KDM4D 3206/4885MEN1 1244/4885KMT2A 3568/4885

“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.