SCHEMBL13108331

SCHEMBL13108331

CC(=O)c1ccc(OCc2ccc(C(O)c3cccc(C4=NNNN4)c3)cc2)c(F)c1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.42
GRM2 Q14416 9/20 0.42
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.36
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSA P10619 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL13108332 0.90 CYSLTR1 (0.42) CYSLTR1GRM2MAPTCYP2C9CYP2C19
SCHEMBL8263429 0.90 GRM2 (0.44) CYSLTR1GRM2MAPTCYP2C9CYP2C19
SCHEMBL8264966 0.89 CYSLTR1 (0.42) CYSLTR1GRM2MAPTCYP2C9CYP2C19
SCHEMBL13108330 0.89 GRM2 (0.39) CYSLTR1GRM2MAPTCYP2C9CYP2C19
SCHEMBL8264946 0.83 GRM2 (0.41) CYSLTR1GRM2MAPTCYP2C9CYP2C19
SCHEMBL481125 0.82 CYSLTR1 (0.45) CYSLTR1GRM2MAPTCYP2C9CYP2C19
SCHEMBL480843 0.82 CYSLTR1 (0.60) CYSLTR1GRM2CYSLTR2
SCHEMBL8265021 0.78 CYSLTR1 (0.41) CYSLTR1GRM2MAPTCYP2C9CYP2C19
SCHEMBL1755709 0.76 MAPT (0.41) CYSLTR1GRM2MAPTCYP2C9CYP2C19
SCHEMBL481194 0.73 CYSLTR1 (0.40) CYSLTR1GRM2MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 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-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CYSLTR1 144/4885GRM2 8/4885MAPT 2945/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 CYSLTR1 144/4885GRM2 8/4885MAPT 2945/4885

“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.