SCHEMBL3414939

SCHEMBL3414939

O=C(c1ccc(C(F)(F)F)c(C#Cc2ccccn2)c1)N1CCc2[nH]ncc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
KIT P10721 3/20 0.46
GRM5 P41594 2/20 0.45
P2RX7 Q99572 2/20 0.38
KDM4E B2RXH2 1/20 0.37
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HPGD P15428 1/20 0.36
SPR P35270 1/20 0.35

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 0.88 KIT (0.52) NAMPTKITGRM5KDM4ESPR
SCHEMBL3413088 0.87 GRM5 (0.58) KITGRM5KDM4EHSP90AA1HSP90AB1
SCHEMBL3414673 0.87 NAMPT (0.49) NAMPTKITGRM5KDM4EHSP90AB1
SCHEMBL3414822 0.85 GRM5 (0.49) NAMPTKITGRM5KDM4EHSP90AA1
SCHEMBL3416965 0.84 KIT (0.41) NAMPTKITGRM5P2RX7KDM4E
SCHEMBL3414890 0.84 NAMPT (0.45) NAMPTKITGRM5
SCHEMBL3414919 0.84 GRM5 (0.50) KITGRM5HSP90AA1HSP90AB1
SCHEMBL3414781 0.83 GRM5 (0.49) NAMPTKITGRM5P2RX7KDM4E
SCHEMBL3413220 0.83 KIT (0.44) KITGRM5HSP90AB1HPGD
SCHEMBL3410361 0.83 GRM5 (0.51) KITGRM5KDM4EHSP90AA1HSP90AB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4640/4885KIT 4672/4885GRM5 1/4885

“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.