SCHEMBL6813604

SCHEMBL6813604

Brc1ccc(CN2CCOCC2)cc1.[Zn]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.69
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.54
KCNJ1 P48048 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
CYP2A13 Q16696 1/20 0.51
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL578548 0.98 HRH3 (0.71) HRH3NPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13783890 0.93 HRH3 (0.82) HRH3NPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1926443 0.91 HRH3 (0.65) HRH3NPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15467001 0.88 HRH3 (0.87) HRH3ALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL1244075 0.83 ALDH1A1 (0.73) HRH3NPC1ALDH1A1KDM4EMAPT
SCHEMBL17873765 0.82 HRH3 (0.71) HRH3NPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL12665893 0.82 HRH3 (0.53) HRH3NPC1ALDH1A1KDM4EL3MBTL1
4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 0.80 HRH3 (0.74) HRH3NPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6813696 0.80 HRH3 (0.75) HRH3ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13362301 0.80 HRH3 (0.74) HRH3ALDH1A1SMN1; SMN2MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224364-A1 Organo-zinc compounds RIEKE METALS, INC. 2004-11-11 US 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-20040224364-A1 Organo-zinc compounds ZFX, CXXC5, CXXC4 HRH3 2675/4885NPC1 629/4885ALDH1A1 2237/4885

“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.