SCHEMBL3635283

SCHEMBL3635283

O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.74
ALDH1A1 P00352 1/20 0.74
SLC6A7 Q99884 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
KDM4E B2RXH2 2/20 0.70
TP53 P04637 1/20 0.69
MAPT P10636 1/20 0.69
TSHR P16473 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
GRM5 P41594 1/20 0.61

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
SCHEMBL4321986 0.89 MEN1 (0.69) MAPK1ALDH1A1SLC6A7L3MBTL1KDM4E
SCHEMBL4317191 0.87 MAPK1 (0.63) MAPK1ALDH1A1SLC6A7L3MBTL1KDM4E
SCHEMBL4312385 0.86 MAPK1 (0.62) MAPK1ALDH1A1SLC6A7L3MBTL1KDM4E
SCHEMBL4423124 0.85 ALDH1A1 (0.62) ALDH1A1KDM4E
SCHEMBL4417399 0.85 MEN1 (0.59) MAPK1ALDH1A1SLC6A7L3MBTL1TP53
SCHEMBL8154101 0.85 SLC6A7 (1.00) MAPK1ALDH1A1SLC6A7L3MBTL1KDM4E
SCHEMBL8167707 0.85 MAPK1 (0.57) MAPK1ALDH1A1SLC6A7L3MBTL1KDM4E
SCHEMBL4429452 0.84 HPGD (0.72) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4425549 0.84 ALDH1A1 (0.72) MAPK1ALDH1A1TP53MAPTTSHR
SCHEMBL3582024 0.84 SLC6A7 (0.77) MAPK1ALDH1A1SLC6A7L3MBTL1KDM4E

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 MAPK1 2368/4885ALDH1A1 4092/4885SLC6A7 633/4885

“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.