SCHEMBL3414859

SCHEMBL3414859

COc1ccc(C(=O)N2CCc3c(OC)ccc(OC)c3C2)cc1C#Cc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
GRM5 P41594 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL3416183 0.91 GRM5 (0.50) NPC1GRM5
SCHEMBL3416189 0.91 GRM5 (0.48) NPC1GRM5MAPK1LMNAMAPT
SCHEMBL3411127 0.89 GRM5 (0.58) NPC1GRM5MAPK1ALDH1A1LMNA
SCHEMBL3414632 0.88 MAPK1 (0.62) NPC1GRM5MAPK1LMNAMAPT
SCHEMBL3415037 0.87 GRM5 (0.51) NPC1GRM5MAPK1ALDH1A1
SCHEMBL3408356 0.87 NPC1 (0.40) NPC1GRM5MAPK1ALDH1A1MEN1
SCHEMBL3414889 0.87 GRM5 (0.52) NPC1GRM5MAPK1LMNAMAPT
SCHEMBL3411114 0.87 NPC1 (0.46) NPC1GRM5MAPK1LMNAMAPT
SCHEMBL3417097 0.86 GRM5 (0.49) NPC1GRM5MAPK1LMNAMAPT
SCHEMBL3416319 0.86 GRM5 (0.49) NPC1GRM5MAPK1LMNAMAPT

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 NPC1 3723/4885GRM5 1/4885MAPK1 1639/4885

“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.