SCHEMBL3416751

SCHEMBL3416751

CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1C#Cc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90B1 P14625 1/20 0.44

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
SCHEMBL3412402 0.93 HSP90B1 (0.50) GRM5LMNAMAPTHTTSMN1; SMN2
SCHEMBL3410315 0.91 PTGDR2 (0.51) GRM5LMNAMAPTHTTSMN1; SMN2
SCHEMBL3411127 0.91 GRM5 (0.58) GRM5LMNAMAPTKDM4EHPGD
SCHEMBL3412700 0.89 LMNA (0.44) GRM5LMNAMAPTHTTSMN1; SMN2
SCHEMBL3414794 0.88 GRM5 (0.51) GRM5SMN1; SMN2HSP90AA1HSP90AB1KDM4E
SCHEMBL3410527 0.86 GRM5 (0.59) GRM5LMNAHTTSMN1; SMN2HSP90AA1
SCHEMBL3415037 0.85 GRM5 (0.51) GRM5NPC1
SCHEMBL3411929 0.85 GRM5 (0.52) GRM5LMNAMAPTNPC1MEN1
SCHEMBL3414632 0.84 MAPK1 (0.62) GRM5LMNAMAPTHTTKDM4E
SCHEMBL3415277 0.84 GRM5 (0.58) GRM5LMNAHTTSMN1; SMN2HSP90AA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010124047-A1 BISARYL ALKYNYLAMIDES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) WYETH LLC (US) 2010-10-28 WO claimed
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) WYETH LLC (US) 2010-10-28 US claimed
WO-2010124047-A1 BISARYL ALKYNYLAMIDES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) WYETH LLC (US) 2010-10-28 WO disclosed
WO-2010124047-A1 BISARYL ALKYNYLAMIDES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) WYETH LLC (US) 2010-10-28 WO disclosed
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) WYETH LLC (US) 2010-10-28 US disclosed
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) WYETH LLC (US) 2010-10-28 US 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-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) GRM5, GRM1, GRM2 GRM5 1/4885LMNA 3295/4885MAPT 2913/4885

“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.