SCHEMBL3414922

SCHEMBL3414922

O=C(c1ccc(Cl)c(C#Cc2ccccn2)c1)N1CCc2c(F)ccc(F)c2C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.50
TACR3 P29371 1/20 0.40
TACR2 P21452 2/20 0.40
TACR1 P25103 2/20 0.40
KIT P10721 1/20 0.39
CTSS P25774 1/20 0.39
NPC1 O15118 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL3414991 0.90 GRM5 (0.52) GRM5TACR2TACR1KITNPC1
SCHEMBL3416183 0.86 GRM5 (0.50) GRM5NPC1PTGDR2
SCHEMBL3416230 0.85 GRM5 (0.48) GRM5TACR3KIT
SCHEMBL3412333 0.84 GRM5 (0.54) GRM5TACR2TACR1KITNPC1
SCHEMBL3415277 0.84 GRM5 (0.58) GRM5NPC1
SCHEMBL3412941 0.83 GRM5 (0.53) GRM5TACR2TACR1KITNPC1
SCHEMBL3412248 0.82 GRM5 (0.48) GRM5TACR3KIT
SCHEMBL3414971 0.82 GRM5 (0.48) GRM5TACR3KIT
SCHEMBL3411248 0.81 GRM5 (0.50) GRM5TACR3KITPTGDR2
SCHEMBL3414613 0.81 GRM5 (0.69) GRM5NPC1

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 GRM5 1/4885TACR3 745/4885TACR2 670/4885

“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.