SCHEMBL3416733

SCHEMBL3416733

Cc1ccc(C(=O)O)cc1C#Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.45
GRM5 P41594 3/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
DDR1 Q08345 1/20 0.43
FFAR1 O14842 1/20 0.42
CSF1R P07333 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
SCHEMBL22308159 0.87 PTGDR2 (0.48) KITPTGDR2GRM5KDM4EKDM6B
SCHEMBL3415259 0.85 KIT (0.52) KITPTGDR2GRM5KDM4EDDR1
SCHEMBL3416370 0.83 PTGDR2 (0.48) PTGDR2GRM5KDM4EKDM6BKDM4A
SCHEMBL3412343 0.83 PTGDR2 (0.51) KITPTGDR2GRM5KDM4EKDM6B
SCHEMBL3413977 0.83 PTGDR2 (0.54) PTGDR2GRM5KDM4E
SCHEMBL3411356 0.81 PTGDR2 (0.58) PTGDR2FFAR1
SCHEMBL3413244 0.80 KIT (0.55) KITGRM5
SCHEMBL3414811 0.80 KIT (0.44) KITPTGDR2GRM5KDM4EKDM6B
SCHEMBL14616920 0.79 HAO1 (0.50) KITDDR1FFAR1CSF1R
SCHEMBL17213608 0.79 KDM4C (0.58) PTGDR2GRM5KDM4EKDM6BKDM4A

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 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
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO 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 (2 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 KIT 4444/4885PTGDR2 500/4885GRM5 1/4885
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) GRM5, GRM1, GRM2 KIT 4672/4885PTGDR2 554/4885GRM5 1/4885

“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.