SCHEMBL3640604

SCHEMBL3640604

CCCC1(O)CN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.56
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
GRM3 Q14832 1/20 0.43
HTT P42858 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
MMP14 P50281 1/20 0.42
MMP15 P51511 1/20 0.42
MMP16 P51512 1/20 0.42
MMP26 Q9NRE1 1/20 0.42
ACACB O00763 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3640700 0.87 GRM5 (0.60) GRM5LMNARAB9AMAPK1GRM3
SCHEMBL8164455 0.85 TSHR (0.53) LMNAMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL8164563 0.84 GRM5 (0.40) GRM5RAB9AHTTMMP2MMP9
SCHEMBL3640039 0.82 GRM5 (0.62) GRM5LMNARAB9AMAPK1GRM3
SCHEMBL16151524 0.80 GRM5 (0.64) GRM5LMNARAB9AMAPK1GRM3
SCHEMBL8159187 0.74 GRM5 (0.41) GRM5LMNARAB9AGRM3HTT
SCHEMBL3638549 0.74 GRM3 (0.74) GRM5LMNARAB9AMAPK1GRM3
SCHEMBL13930951 0.72 GRM5 (0.65) GRM5LMNARAB9AMAPK1GRM3
SCHEMBL8167183 0.72 FASN (0.59) LMNAMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL3641109 0.72 GRM5 (0.56) GRM5LMNARAB9AMAPK1GRM3

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 1/4885LMNA 4804/4885RAB9A 3119/4885

“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.