SCHEMBL3136010

SCHEMBL3136010

CN(Cc1ccco1)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 14/20 0.67
CYP2D6 P10635 5/20 0.67
CYP1A2 P05177 5/20 0.67
CYP2C9 P11712 7/20 0.67
CYP2C19 P33261 3/20 0.66
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL3136567 0.85 GRIA2 (0.82) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3143951 0.84 GRIA2 (0.78) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3135613 0.84 GRIA2 (0.67) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3132274 0.83 GRIA2 (0.81) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3134171 0.83 GRIA2 (0.74) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3143272 0.82 GRIA2 (0.81) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3132312 0.81 GRIA2 (1.00) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3129915 0.81 GRIA2 (0.70) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3134158 0.80 GRIA2 (0.75) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL3136027 0.80 GRIA2 (1.00) GRIA2CYP2D6CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642256-B2 Compounds which potentiate AMPA receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2010-01-05 US disclosed
US-7566735-B2 Compounds which potentiate AMPA receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
US-20090118280-A1 Compounds Which Potentiate AMPA Receptor and Uses Thereof in Medicine HARRISON STEPHEN 2009-05-07 US disclosed
US-20080139472-A1 UPREGULATING BDNF LEVELS TO MITIGATE MENTAL RETARDATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-06-12 US disclosed
US-20080045532-A1 Compounds which potentiate AMPA receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2008-02-21 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 (3 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-20090118280-A1 Compounds Which Potentiate AMPA Receptor and Uses Thereof in Medicine GRIN1, GRM2, GRM1 GRIA2 22/4885CYP2D6 3213/4885CYP1A2 2601/4885
US-20080139472-A1 UPREGULATING BDNF LEVELS TO MITIGATE MENTAL RETARDATION BDNF, MECP2, NTRK2 GRIA2 43/4885CYP2D6 4872/4885CYP1A2 4876/4885
US-20080045532-A1 Compounds which potentiate AMPA receptor and uses thereof in medicine GRIN1, GRM2, GRM1 GRIA2 22/4885CYP2D6 3213/4885CYP1A2 2601/4885

“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.