SCHEMBL3414971

SCHEMBL3414971

O=C(c1ccc(Cl)c(C#Cc2ccccn2)c1)N1CCc2cccnc2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
HPGD P15428 3/20 0.43
KIT P10721 1/20 0.42
TACR3 P29371 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RIPK1 Q13546 2/20 0.40
MAPK14 Q16539 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
SCHEMBL3412248 0.92 GRM5 (0.48) GRM5HPGDKITTACR3LMNA
SCHEMBL3415277 0.91 GRM5 (0.58) GRM5HPGDLMNAHTTKDM4E
SCHEMBL3417074 0.91 GRM5 (0.44) GRM5KITTACR3ALDH1A1NAMPT
SCHEMBL3411194 0.89 KIT (0.50) GRM5HPGDKITLMNAKDM4E
SCHEMBL3416230 0.88 GRM5 (0.48) GRM5HPGDKITTACR3LMNA
SCHEMBL3417097 0.86 GRM5 (0.49) GRM5LMNA
SCHEMBL3414781 0.86 GRM5 (0.49) GRM5HPGDKITKDM4EALDH1A1
SCHEMBL3411248 0.86 GRM5 (0.50) GRM5HPGDKITTACR3ALDH1A1
SCHEMBL3414936 0.84 NAMPT (0.42) GRM5KITTACR3LMNAKDM4E
SCHEMBL3412941 0.84 GRM5 (0.53) GRM5HPGDKITLMNAHTT

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 4 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
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 1/4885HPGD 4036/4885KIT 4672/4885

“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.