SCHEMBL3413330

SCHEMBL3413330

O=C(c1ccc(OC(F)F)c(C#Cc2ccccn2)c1)N1Cc2cccnc2C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
NAMPT P43490 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
RECQL P46063 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL29394044 1.00 GRM5 (0.42) GRM5NAMPTPTGDR2KDM4ELMNA
SCHEMBL30079789 1.00 GRM5 (0.42) GRM5NAMPTPTGDR2KDM4ELMNA
SCHEMBL3411174 0.88 NAMPT (0.46) GRM5NAMPTPTGDR2
SCHEMBL7893824 0.84 HSP90B1 (0.46) GRM5NAMPT
SCHEMBL3413024 0.83 KIT (0.51) GRM5NAMPTKIT
SCHEMBL3417074 0.83 GRM5 (0.44) GRM5NAMPTPTGDR2TACR2TACR1
SCHEMBL3411310 0.82 KIT (0.44) GRM5NAMPTTACR2TACR1KIT
SCHEMBL13117491 0.81 NAMPT (0.42) GRM5NAMPTKDM4ELMNAGLA
SCHEMBL4315437 0.81 MEN1 (0.53) KDM4E
SCHEMBL3416458 0.81 GRM5 (0.50) GRM5PTGDR2

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 9 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
EP-3436009-B1 NEGATIVE ALLOSTERIC MODULATORS OF MGLUR5 FOR USE IN THE TREATMENT OF MATURE BRAIN DAMAGES. Sinntaxis AB (SE) 2024-03-06 EP disclosed
WO-2023279193-A9 PHOSPHODIESTERASE INHIBITORS FOR THE MITIGATION OF FRAGILE X SYNDROME SYMPTOMS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2023-04-27 WO disclosed
US-11033545-B2 Negative allosteric modulators of MGLUR5 for use in the treatment of mature brain damages Sinntaxis AB (SE) 2021-06-15 US disclosed
US-11033545-B2 Negative allosteric modulators of MGLUR5 for use in the treatment of mature brain damages Sinntaxis AB (SE) 2021-06-15 US 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

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-11033545-B2 Negative allosteric modulators of MGLUR5 for use in the treatment of mature brain damages GRM5, GRIK5, GRM1 GRM5 1/4885NAMPT 704/4885PTGDR2 532/4885
US-20100273772-A1 Bisaryl Alkynylamides as Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5 (MGLUR5) GRM5, GRM1, GRM2 GRM5 1/4885NAMPT 4640/4885PTGDR2 554/4885

“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.