SCHEMBL3410315

SCHEMBL3410315

CCOc1ccc(C(=O)N2CCc3ccc(Cl)cc3C2)cc1C#Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 2/20 0.47
GRM5 P41594 2/20 0.47
ESR1 P03372 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KIT P10721 1/20 0.43
STS P08842 1/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL3411970 0.92 NPC1 (0.55) PTGDR2LMNAMAPTNPC1GRM5
SCHEMBL3416751 0.91 GRM5 (0.54) LMNAMAPTNPC1GRM5RAB9A
SCHEMBL3412226 0.88 KIT (0.52) PTGDR2MAPTNPC1GRM5ESR1
SCHEMBL3414490 0.86 GRM5 (0.58) PTGDR2NPC1GRM5ESR1RAB9A
SCHEMBL3412700 0.86 LMNA (0.44) PTGDR2LMNAMAPTNPC1GRM5
SCHEMBL3412402 0.85 HSP90B1 (0.50) PTGDR2LMNAMAPTGRM5HTT
SCHEMBL3410361 0.83 GRM5 (0.51) PTGDR2NPC1GRM5ESR1RAB9A
SCHEMBL3411127 0.82 GRM5 (0.58) LMNAMAPTNPC1GRM5KDM4E
SCHEMBL3414632 0.82 MAPK1 (0.62) LMNAMAPTNPC1GRM5RAB9A
SCHEMBL3412074 0.81 NPC1 (0.57) LMNAMAPTNPC1GRM5RAB9A

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
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
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 PTGDR2 554/4885LMNA 3295/4885MAPT 2913/4885

“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.