SCHEMBL3638448

SCHEMBL3638448

O=C(c1ccc(C#Cc2ccc(F)cc2)cc1)N1CCC(CO)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.56
GRM5 P41594 2/20 0.56
GRM3 Q14832 4/20 0.53
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GPR183 P32249 1/20 0.51
PAX8 Q06710 1/20 0.51
MGLL Q99685 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 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
SCHEMBL3977616 0.92 HSD11B1 (0.65) HSD11B1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3637206 0.88 GRM5 (0.55) HSD11B1GRM5GRM3PAX8MGLL
SCHEMBL3637213 0.88 GRM5 (0.72) GRM5GRM3
SCHEMBL8166304 0.87 HSD11B1 (0.61) HSD11B1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3642448 0.87 GRM5 (0.51) HSD11B1GRM5GRM3MEN1ALDH1A1
SCHEMBL3636039 0.85 GRM5 (0.55) HSD11B1GRM5GRM3L3MBTL1PAX8
SCHEMBL3641180 0.85 GRM5 (0.76) HSD11B1GRM5GRM3KDM4EMEN1
SCHEMBL8161989 0.84 GRIN2B (0.40) HSD11B1GRM5GRM3MEN1KMT2A
SCHEMBL16151534 0.83 GRM5 (0.77) HSD11B1GRM5GRM3KDM4EMEN1
SCHEMBL16151536 0.80 HPGD (0.65) HSD11B1GRM5KDM4EMEN1ALDH1A1

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 HSD11B1 3573/4885GRM5 1/4885GRM3 3/4885

“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.