SCHEMBL3414919

SCHEMBL3414919

O=C(c1ccc(C(F)(F)F)c(C#Cc2ccccn2)c1)N1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
KIT P10721 2/20 0.47
HSP90AA1 P07900 10/20 0.45
HSP90AB1 P08238 5/20 0.44
HSP90B1 P14625 2/20 0.43
TRAP1 Q12931 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
SCHEMBL3411310 0.93 KIT (0.44) GRM5KITHSP90AA1HSP90AB1HSP90B1
SCHEMBL3413088 0.93 GRM5 (0.58) GRM5KITHSP90AA1HSP90AB1
SCHEMBL3414617 0.92 KIT (0.44) GRM5KITHSP90AA1HSP90AB1
SCHEMBL3414822 0.89 GRM5 (0.49) GRM5KITHSP90AA1HSP90AB1
SCHEMBL3414781 0.86 GRM5 (0.49) GRM5KITHSP90AA1HSP90AB1
SCHEMBL3415240 0.86 GRM5 (0.60) GRM5KITHSP90AA1HSP90AB1HSP90B1
SCHEMBL3413915 0.85 GRM5 (0.46) GRM5KITHSP90AA1HSP90AB1TRAP1
SCHEMBL4326377 0.85 SLC6A7 (0.58)
SCHEMBL3410361 0.84 GRM5 (0.51) GRM5KITHSP90AA1HSP90AB1
SCHEMBL3414939 0.84 NAMPT (0.47) GRM5KITHSP90AA1HSP90AB1

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 2 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
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 GRM5 1/4885KIT 4672/4885HSP90AA1 4523/4885

“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.