SCHEMBL3416965

SCHEMBL3416965

O=C(c1ccc(C(F)(F)F)c(C#Cc2ccccn2)c1)N1CCc2[nH]cnc2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.41
GRM5 P41594 1/20 0.41
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.39
P2RX7 Q99572 8/20 0.38
SCN9A Q15858 1/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL3414936 0.87 NAMPT (0.42) KITGRM5NAMPTKDM4EP2RX7
SCHEMBL3414781 0.85 GRM5 (0.49) KITGRM5NAMPTKDM4EP2RX7
SCHEMBL3414939 0.84 NAMPT (0.47) KITGRM5NAMPTKDM4EP2RX7
SCHEMBL3414785 0.84 NPC1 (0.41) GRM5KDM4E
SCHEMBL3413088 0.84 GRM5 (0.58) KITGRM5KDM4E
SCHEMBL3414822 0.83 GRM5 (0.49) KITGRM5NAMPTKDM4E
SCHEMBL3413404 0.81 NAMPT (0.47) KITGRM5NAMPTKDM4E
SCHEMBL3414919 0.80 GRM5 (0.50) KITGRM5
SCHEMBL3411310 0.80 KIT (0.44) KITGRM5NAMPTTACR2TACR1
SCHEMBL3413220 0.80 KIT (0.44) KITGRM5

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 KIT 4672/4885GRM5 1/4885NAMPT 4640/4885

“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.