SCHEMBL10313009

SCHEMBL10313009

CCc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ESR2 Q92731 1/20 0.50
NR1H2 P55055 3/20 0.49
MAPK1 P28482 1/20 0.41
SLC34A1 Q06495 1/20 0.41
ADORA1 P30542 1/20 0.40
HPGDS O60760 1/20 0.40
MTOR P42345 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL20364359 0.91 ESR2 (0.50) MAPTESR2NR1H2MAPK1SLC34A1
SCHEMBL10313002 0.91 MAPT (0.52) MAPTESR2NR1H2MAPK1HPGDS
SCHEMBL20364276 0.89 ABHD6 (0.44) MAPTESR2NR1H2MAPK1SLC34A1
SCHEMBL25147666 0.87 MAPT (0.49) MAPTESR2NR1H2MAPK1SLC34A1
SCHEMBL30332059 0.87 MAPT (0.49) MAPTESR2NR1H2MAPK1SLC34A1
SCHEMBL14135312 0.86 DHFR (0.41) MAPT
SCHEMBL29421798 0.85 ESR2 (0.47) MAPTESR2NR1H2GPR119
SCHEMBL30370414 0.84 MAPT (0.55) MAPTESR2NR1H2MAPK1HPGDS
SCHEMBL25153126 0.84 MAPT (0.55) MAPTESR2NR1H2MAPK1HPGDS
SCHEMBL13226239 0.84 ESR2 (0.63) MAPTESR2NR1H2MAPK1ADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 528/4885ESR2 1535/4885NR1H2 425/4885

“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.