SCHEMBL3411248

SCHEMBL3411248

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.50
KIT P10721 1/20 0.44
TRAP1 Q12931 2/20 0.44
HSP90B1 P14625 2/20 0.44
HPGD P15428 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TACR3 P29371 1/20 0.41
HSP90AA1 P07900 4/20 0.41
HSP90AB1 P08238 4/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3415277 0.93 GRM5 (0.58) GRM5HPGDHSP90AA1HSP90AB1ALDH1A1
SCHEMBL3417074 0.93 GRM5 (0.44) GRM5KITTRAP1HSP90B1PTGDR2
SCHEMBL3412248 0.88 GRM5 (0.48) GRM5KITHPGDTACR3HSP90AB1
SCHEMBL3416230 0.87 GRM5 (0.48) GRM5KITTRAP1HPGDTACR3
SCHEMBL3415240 0.86 GRM5 (0.60) GRM5KITTRAP1HSP90B1HSP90AA1
SCHEMBL3413244 0.86 KIT (0.55) GRM5KITTRAP1HSP90B1HSP90AA1
SCHEMBL3414971 0.86 GRM5 (0.48) GRM5KITHPGDTACR3ALDH1A1
SCHEMBL3414991 0.85 GRM5 (0.52) GRM5KITTRAP1HSP90B1HPGD
SCHEMBL3416458 0.84 GRM5 (0.50) GRM5TRAP1HSP90B1PTGDR2HSP90AA1
SCHEMBL4314270 0.84 KDM4E (0.56) ALDH1A1

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 6 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
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
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 4672/4885TRAP1 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.