SCHEMBL8167646

SCHEMBL8167646

O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 1.00
HPGD P15428 1/20 1.00
EPHX2 P34913 1/20 0.73
HPGDS O60760 2/20 0.72
ALDH1A1 P00352 2/20 0.71
HTR1A P08908 1/20 0.71
MAOA P21397 1/20 0.71
MAOB P27338 1/20 0.71
KCNH2 Q12809 1/20 0.71
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
MMP12 P39900 1/20 0.69
KDM4E B2RXH2 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL8150783 0.92 CD274 (0.85) CD274HPGDEPHX2ALDH1A1KDM4E
SCHEMBL487964 0.92 CD274 (0.84) CD274HPGDEPHX2HPGDSALDH1A1
SCHEMBL16574185 0.88 CD274 (0.79) CD274HPGDALDH1A1HTR1AMAOA
SCHEMBL4015612 0.87 EPHX2 (0.82) CD274HPGDEPHX2HPGDSALDH1A1
SCHEMBL14082516 0.87 CD274 (0.77) CD274HPGDHPGDSALDH1A1HTR1A
SCHEMBL16462027 0.86 CD274 (0.76) CD274HPGDEPHX2HPGDSALDH1A1
SCHEMBL8150803 0.86 HPGD (0.76) CD274HPGDALDH1A1CYP1A2CYP2D6
SCHEMBL3637852 0.86 CD274 (0.75) CD274HPGDEPHX2HPGDSALDH1A1
SCHEMBL6569882 0.85 CD274 (0.77) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL4488493 0.85 CD274 (0.77) CD274HPGDEPHX2ALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 CD274 2710/4885HPGD 3544/4885EPHX2 3401/4885

“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.