SCHEMBL3637852

SCHEMBL3637852

O=C(NCCN1CCOCC1)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.75
HPGD P15428 1/20 0.75
EPHX2 P34913 1/20 0.69
ALDH1A1 P00352 2/20 0.67
HTR1A P08908 1/20 0.67
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
KCNH2 Q12809 1/20 0.67
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
KDM4E B2RXH2 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
DRD2 P14416 1/20 0.62
DRD4 P21917 1/20 0.62
DRD3 P35462 1/20 0.62
HPGDS O60760 1/20 0.61
POLB P06746 1/20 0.59
ACACB O00763 1/20 0.59

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
SCHEMBL3641780 0.93 SMN1; SMN2 (0.76) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL487964 0.88 CD274 (0.84) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL3642214 0.87 CYP1A2 (0.65) CD274HPGDALDH1A1CYP1A2CYP2D6
SCHEMBL8160776 0.86 CD274 (0.55) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL27285805 0.86 CD274 (0.73) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL8167646 0.86 CD274 (1.00) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL4015612 0.84 EPHX2 (0.82) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL16462027 0.83 CD274 (0.76) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL6569882 0.81 CD274 (0.77) CD274HPGDEPHX2ALDH1A1HTR1A
SCHEMBL4488493 0.81 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
EP-2162136-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-03-17 EP disclosed
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
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.