SCHEMBL3126019

SCHEMBL3126019

CCNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 1.00
CYP2D6 P10635 6/20 1.00
CYP2C19 P33261 3/20 1.00
GRIA2 P42262 16/20 0.71
CYP2C9 P11712 9/20 0.71
GAA P10253 1/20 0.67
CYP3A4 P08684 1/20 0.59

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
SCHEMBL3139190 0.87 CYP1A2 (0.78) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL3140870 0.85 GRIA2 (0.76) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL3136113 0.83 GRIA2 (1.00) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL3143438 0.83 GRIA2 (0.76) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL3139210 0.82 GRIA2 (0.78) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL3128748 0.82 GRIA2 (0.79) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL3132274 0.81 GRIA2 (0.81) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL3144380 0.81 GRIA2 (1.00) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL8230950 0.81 GRIA2 (0.77) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9
SCHEMBL3143860 0.81 GRIA2 (1.00) CYP1A2CYP2D6CYP2C19GRIA2CYP2C9

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 14 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-7642256-B2 Compounds which potentiate AMPA receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2010-01-05 US disclosed
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-7566735-B2 Compounds which potentiate AMPA receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2009-07-28 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-20090118280-A1 Compounds Which Potentiate AMPA Receptor and Uses Thereof in Medicine HARRISON STEPHEN 2009-05-07 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
US-20080045532-A1 Compounds which potentiate AMPA receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
US-20080045532-A1 Compounds which potentiate AMPA receptor and uses thereof in medicine GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
WO-2007107539-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 WO 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 CYP1A2 2601/4885CYP2D6 3213/4885CYP2C19 2773/4885
US-20080139472-A1 UPREGULATING BDNF LEVELS TO MITIGATE MENTAL RETARDATION BDNF, MECP2, NTRK2 CYP1A2 4876/4885CYP2D6 4872/4885CYP2C19 4863/4885
US-20080045532-A1 Compounds which potentiate AMPA receptor and uses thereof in medicine GRIN1, GRM2, GRM1 CYP1A2 2601/4885CYP2D6 3213/4885CYP2C19 2773/4885

“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.