SCHEMBL3640700

SCHEMBL3640700

CCCC1(O)CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.60
GRM3 Q14832 1/20 0.53
LMNA P02545 4/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
PKLR P30613 1/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACACB O00763 1/20 0.46
BLM P54132 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FASN P49327 1/20 0.43

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
SCHEMBL3640604 0.87 GRM5 (0.56) GRM5GRM3LMNAHTTALDH1A1
SCHEMBL8167183 0.86 FASN (0.59) LMNAALDH1A1MAPK1PKLRMEN1
SCHEMBL8159187 0.85 GRM5 (0.41) GRM5GRM3LMNAHTTALDH1A1
SCHEMBL3638549 0.83 GRM3 (0.74) GRM5GRM3LMNAHTTALDH1A1
SCHEMBL3642913 0.80 GRM5 (0.63) GRM5GRM3LMNAHTTALDH1A1
SCHEMBL3643162 0.79 CA12 (0.64) GRM5GRM3LMNAHTTALDH1A1
SCHEMBL14427028 0.77 BLM (0.59) LMNAALDH1A1PKLRBLMHPGD
SCHEMBL13930990 0.77 GRM5 (0.59) GRM5GRM3LMNAALDH1A1MAPT
SCHEMBL3636761 0.76 CA12 (0.67) GRM5GRM3LMNAHTTALDH1A1
SCHEMBL3641190 0.76 GRM5 (1.00) GRM5LMNAMAPK1RAB9AMEN1

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 GRM5 1/4885GRM3 3/4885LMNA 4804/4885

“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.