SCHEMBL3414632

SCHEMBL3414632

COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1C#Cc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
PDE4B Q07343 4/20 0.53
PDE4D Q08499 2/20 0.52
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 2/20 0.52
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51

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
SCHEMBL3411127 0.93 GRM5 (0.58) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL3414660 0.91 CA1 (0.52) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL3415037 0.90 GRM5 (0.51) MAPK1NPC1GRM5
SCHEMBL3411970 0.90 NPC1 (0.55) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL3412074 0.90 NPC1 (0.57) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL3417097 0.89 GRM5 (0.49) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL3416319 0.89 GRM5 (0.49) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL3408643 0.89 GRM5 (0.51) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL3416458 0.88 GRM5 (0.50) MAPK1NPC1GRM5
SCHEMBL3416189 0.88 GRM5 (0.48) MAPK1MEN1KMT2ALMNAMAPT

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 MAPK1 1639/4885MEN1 3561/4885KMT2A 896/4885

“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.