SCHEMBL3638832

SCHEMBL3638832

O=C(c1ccc(C#Cc2cccc(F)c2)cc1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.60
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ACACB O00763 2/20 0.53
EPHX2 P34913 1/20 0.51
PHGDH O43175 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL16151531 0.87 GRM5 (0.57) GRM5HPGDSMN1; SMN2ACACBALDH1A1
SCHEMBL3644132 0.86 EPHX2 (0.66) GRM5HPGDSMN1; SMN2ACACBEPHX2
SCHEMBL3644126 0.85 GRM5 (0.71) GRM5HPGDSMN1; SMN2ACACBPHGDH
SCHEMBL3637719 0.84 PHGDH (0.56) GRM5HPGDSMN1; SMN2ACACBEPHX2
SCHEMBL3640225 0.84 GRM5 (0.74) GRM5SMN1; SMN2
SCHEMBL16151537 0.84 ACACB (0.56) GRM5SMN1; SMN2ACACB
SCHEMBL16151532 0.82 GRM5 (0.74) GRM5HPGDSMN1; SMN2ALDH1A1
SCHEMBL3642899 0.81 GRM3 (0.63) GRM5SMN1; SMN2ACACB
SCHEMBL4712558 0.81 GRM5 (0.65) GRM5ACACBKDM4EALDH1A1
SCHEMBL3637206 0.81 GRM5 (0.55) GRM5SMN1; SMN2

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 8 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
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 GRM5 1/4885HPGD 3544/4885SMN1; SMN2 2385/4885

“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.