SCHEMBL3408638

SCHEMBL3408638

COc1ccc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)cc1C#Cc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
KIT P10721 2/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.42
FGFR1 P11362 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL3411363 0.94 GRM5 (0.46) GRM5KITNPC1MAPK1LMNA
SCHEMBL3414889 0.89 GRM5 (0.52) GRM5NPC1MAPK1LMNAMAPT
SCHEMBL3411114 0.88 NPC1 (0.46) GRM5KITNPC1MAPK1LMNA
SCHEMBL3411127 0.86 GRM5 (0.58) GRM5NPC1MAPK1LMNAMAPT
SCHEMBL3416189 0.85 GRM5 (0.48) GRM5NPC1MAPK1LMNAMAPT
SCHEMBL3416788 0.85 NPC1 (0.53) GRM5KITNPC1MAPK1LMNA
SCHEMBL3414859 0.84 NPC1 (0.45) GRM5NPC1MAPK1LMNAMAPT
SCHEMBL3416319 0.84 GRM5 (0.49) GRM5NPC1MAPK1LMNAMAPT
SCHEMBL3414632 0.84 MAPK1 (0.62) GRM5NPC1MAPK1LMNAMAPT
SCHEMBL3415037 0.83 GRM5 (0.51) GRM5NPC1MAPK1

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 1/4885KIT 4672/4885NPC1 3723/4885

“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.