SCHEMBL3412941

SCHEMBL3412941

O=C(c1ccc(Cl)c(C#Cc2ccccn2)c1)N1CCc2ccc(F)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.53
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 2/20 0.47
NAMPT P43490 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HSP90B1 P14625 2/20 0.42
TRAP1 Q12931 2/20 0.42
ESR1 P03372 1/20 0.42
KIT P10721 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL3415277 0.91 GRM5 (0.58) GRM5HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL3412074 0.87 NPC1 (0.57) GRM5HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL3414490 0.86 GRM5 (0.58) GRM5HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL3414991 0.85 GRM5 (0.52) GRM5HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL3412248 0.84 GRM5 (0.48) GRM5HPGDNAMPTKITKDM4E
SCHEMBL3414971 0.84 GRM5 (0.48) GRM5HPGDALDH1A1NAMPTKIT
SCHEMBL3416230 0.83 GRM5 (0.48) GRM5HPGDALDH1A1SMN1; SMN2NAMPT
SCHEMBL3414922 0.83 GRM5 (0.50) GRM5NPC1KITTACR2TACR1
SCHEMBL3411248 0.83 GRM5 (0.50) GRM5HPGDALDH1A1HSP90B1TRAP1
SCHEMBL3414613 0.83 GRM5 (0.69) GRM5HPGDALDH1A1SMN1; SMN2NPC1

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 4036/4885ALDH1A1 1776/4885

“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.