SCHEMBL3638834

SCHEMBL3638834

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.65
▸ ACHE P22303 1/20 0.54
▸ NAMPT P43490 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ GPR183 P32249 1/20 0.50
▸ L3MBTL3 Q96JM7 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GRM3 Q14832 1/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ HSD11B1 P28845 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47

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
SCHEMBL4220849 1.00 GRM5 (0.65) GRM5ACHENAMPTSMN1; SMN2EPHX1
SCHEMBL13931022 0.87 ACHE (0.74) GRM5ACHESMN1; SMN2GPR183KMT2A
SCHEMBL4003986 0.85 GRM5 (0.73) GRM5ACHENAMPTSMN1; SMN2EPHX1
SCHEMBL21309385 0.83 GRM5 (0.57) GRM5ACHENAMPTL3MBTL3L3MBTL1
SCHEMBL8159195 0.83 SMN1; SMN2 (0.70) GRM5ACHESMN1; SMN2MEN1KMT2A
SCHEMBL8163789 0.82 GRM5 (0.43) GRM5NAMPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL1595590 0.80 MAPK10 (0.77) GRM5HDAC6
SCHEMBL1595592 0.80 MAPK10 (0.77) GRM5HDAC6
SCHEMBL3637291 0.79 GRM5 (1.00) GRM5ACHENAMPTSMN1; SMN2EPHX1
SCHEMBL3001297 0.76 GRM5 (0.60) GRM5NAMPTSMN1; SMN2L3MBTL3L3MBTL1

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 4 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
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
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 1/4885ACHE 843/4885NAMPT 2486/4885

“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.

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