SCHEMBL3637708

SCHEMBL3637708

O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 17/20 0.76
L3MBTL1 Q9Y468 15/20 0.76
MBTD1 Q05BQ5 6/20 0.73
TP53BP1 Q12888 2/20 0.73
L3MBTL4 Q8NA19 2/20 0.73
GRM5 P41594 2/20 0.71
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL3639179 0.97 L3MBTL3 (0.73) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3638327 0.88 GRM5 (0.76) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL16151520 0.87 KDM4E (0.67) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL10293557 0.87 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL23682730 0.85 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL8163565 0.85 L3MBTL3 (0.83) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL27669216 0.84 L3MBTL3 (0.94) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL23682947 0.84 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL8154357 0.84 L3MBTL3 (0.52) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3637291 0.83 GRM5 (1.00) L3MBTL3L3MBTL1GRM5

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 L3MBTL3 2614/4885L3MBTL1 2148/4885MBTD1 892/4885

“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.