SCHEMBL3416319

SCHEMBL3416319

COc1ccc(C(=O)N2CCc3ncccc3C2)cc1C#Cc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDGFRB P09619 3/20 0.44
KDR P35968 2/20 0.42

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
SCHEMBL3417097 0.93 GRM5 (0.49) GRM5MAPK1NPC1LMNAMAPT
SCHEMBL3411174 0.92 NAMPT (0.46) GRM5NPC1
SCHEMBL3411127 0.92 GRM5 (0.58) GRM5MAPK1NPC1LMNAMAPT
SCHEMBL3413213 0.90 NPC1 (0.44) GRM5MAPK1NPC1LMNAMAPT
SCHEMBL3414632 0.89 MAPK1 (0.62) GRM5MAPK1NPC1LMNAMAPT
SCHEMBL3416898 0.89 NPC1 (0.44) GRM5MAPK1NPC1LMNAMAPT
SCHEMBL3411275 0.89 NPC1 (0.46) GRM5MAPK1NPC1LMNAMAPT
SCHEMBL3411237 0.89 KIT (0.52) GRM5LMNAKMT2A
SCHEMBL3415037 0.89 GRM5 (0.51) GRM5MAPK1NPC1
SCHEMBL3416458 0.89 GRM5 (0.50) GRM5MAPK1NPC1

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
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
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 1/4885MAPK1 1639/4885NPC1 3723/4885

“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.