SCHEMBL3414890

SCHEMBL3414890

COc1ccc(C(=O)N2CCc3[nH]ncc3C2)cc1C#Cc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 1/20 0.45
GRM5 P41594 1/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KIT P10721 1/20 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
SCHEMBL3411231 0.89 KIT (0.52) NAMPTGRM5KIT
SCHEMBL3411127 0.87 GRM5 (0.58) NPC1MAPK1GRM5LMNAMAPT
SCHEMBL3414673 0.87 NAMPT (0.49) NAMPTGRM5LMNAKIT
SCHEMBL3414632 0.87 MAPK1 (0.62) NPC1MAPK1GRM5LMNAMAPT
SCHEMBL3416319 0.85 GRM5 (0.49) NPC1MAPK1GRM5LMNAMAPT
SCHEMBL3414785 0.84 NPC1 (0.41) NPC1MAPK1GRM5MEN1KMT2A
SCHEMBL3414939 0.84 NAMPT (0.47) NAMPTGRM5KIT
SCHEMBL3415037 0.84 GRM5 (0.51) NPC1MAPK1GRM5
SCHEMBL3416458 0.84 GRM5 (0.50) NPC1MAPK1GRM5
SCHEMBL3411929 0.84 GRM5 (0.52) NPC1MAPK1GRM5LMNAMAPT

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 NAMPT 4640/4885NPC1 3723/4885MAPK1 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.