SCHEMBL3412700

SCHEMBL3412700

CCOc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cc1C#Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
TRAP1 Q12931 2/20 0.44
HSP90B1 P14625 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
GRM5 P41594 2/20 0.43
KIT P10721 1/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.40
NPC1 O15118 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
SCHEMBL3411114 0.92 NPC1 (0.46) LMNAMAPTGRM5KITNAMPT
SCHEMBL3416751 0.89 GRM5 (0.54) LMNAMAPTTRAP1HSP90B1GRM5
SCHEMBL3411122 0.88 KIT (0.51) LMNATRAP1GRM5KITHTT
SCHEMBL3416230 0.88 GRM5 (0.48) LMNATRAP1GRM5KITHTT
SCHEMBL3412402 0.86 HSP90B1 (0.50) LMNAMAPTTRAP1HSP90B1PTGDR2
SCHEMBL3410315 0.86 PTGDR2 (0.51) LMNAMAPTPTGDR2GRM5KIT
SCHEMBL3412333 0.85 GRM5 (0.54) TRAP1HSP90B1GRM5KITSMN1; SMN2
SCHEMBL3412093 0.84 TRAP1 (0.49) TRAP1HSP90B1PTGDR2GRM5NAMPT
SCHEMBL3413915 0.83 GRM5 (0.46) TRAP1GRM5KITSMN1; SMN2NAMPT
SCHEMBL3414937 0.83 NPC1 (0.46) LMNAMAPTPTGDR2GRM5KIT

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 LMNA 3295/4885MAPT 2913/4885TRAP1 3586/4885

“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.