SCHEMBL10312987

SCHEMBL10312987

CC(C)(C)OC(=O)N1CCc2ncc(OCc3cccc(F)c3)cc2C1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.49
ESR2 Q92731 1/20 0.45
MAPT P10636 2/20 0.45
GPR119 Q8TDV5 4/20 0.43
MKNK1 Q9BUB5 1/20 0.42
GCK P35557 1/20 0.42
MAPK1 P28482 1/20 0.42
NR1H2 P55055 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
SCHEMBL30408225 0.87 HPGDS (0.50) HPGDSESR2MAPTGPR119MKNK1
SCHEMBL29097840 0.86 NR1H2 (0.54) ESR2NR1H2
SCHEMBL30198978 0.86 NR1H2 (0.54) ESR2NR1H2
SCHEMBL30199514 0.86 NR1H2 (0.54) ESR2NR1H2
SCHEMBL10312989 0.84 GRM5 (0.56)
SCHEMBL10312986 0.84 CHRM4 (0.46)
SCHEMBL18550139 0.84 MAPT (0.49) HPGDSESR2MAPTGCK
SCHEMBL10462553 0.82 ESR2 (0.49) ESR2MAPTGPR119GCKMAPK1
SCHEMBL5049891 0.82 HRH3 (0.49) ESR2GPR119
SCHEMBL13226354 0.80 MAPT (0.48) HPGDSESR2MAPTGPR119MAPK1

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-2012097182-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS VANDERBILT UNIVERSITY (US) 2012-07-19 WO disclosed
US-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-12 US disclosed
US-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-12 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-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS GRM5, GRIK5, GRM3 HPGDS 3319/4885ESR2 1535/4885MAPT 528/4885

“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.