SCHEMBL6958085

SCHEMBL6958085

O=C1CCOC(COc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
HRH3 Q9Y5N1 1/20 0.48
GRM2 Q14416 1/20 0.47
PDK1 Q15118 2/20 0.46
DRD4 P21917 7/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL3590890 0.79 LMNA (0.52) HRH3CYP3A4TSHR
SCHEMBL3250460 0.78 TDP1 (0.71) TDP1HRH3GRM2PDK1DRD4
SCHEMBL28659846 0.78 TDP1 (0.71) TDP1HRH3GRM2PDK1DRD4
SCHEMBL14635790 0.76 GRM2 (0.43) GRM2ALDH1A1TSHRMEN1KMT2A
SCHEMBL20617560 0.75 TDP1 (0.61) TDP1HRH3GRM2ALDH1A1TP53
SCHEMBL1583161 0.74 TDP1 (1.00) TDP1HRH3GRM2PDK1DRD4
SCHEMBL1582872 0.74 TDP1 (1.00) TDP1HRH3GRM2PDK1DRD4
SCHEMBL17028904 0.74 TDP1 (1.00) TDP1HRH3GRM2PDK1DRD4
SCHEMBL31220 0.74 TDP1 (1.00) TDP1HRH3GRM2PDK1DRD4
SCHEMBL2700735 0.73 TDP1 (0.65) TDP1HRH3PDK1ALDH1A1TSHR

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-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
EP-1268483-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068651-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 TDP1 4444/4885HRH3 2/4885GRM2 580/4885

“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.