SCHEMBL2009593

SCHEMBL2009593

Cc1ccc(C(NC(=O)CNC(=O)CCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.77
SLC6A5 Q9Y345 4/20 0.77
UTS2R Q9UKP6 1/20 0.54
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
F2 P00734 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2008051 0.86 SLC6A9 (0.97) SLC6A9SLC6A5UTS2RALDH1A1L3MBTL1
SCHEMBL2010356 0.85 SLC6A9 (0.95) SLC6A9SLC6A5UTS2RALDH1A1L3MBTL1
SCHEMBL2009615 0.84 SLC6A9 (0.72) SLC6A9SLC6A5ALDH1A1L3MBTL1F2
SCHEMBL2012318 0.80 SLC6A9 (0.86) SLC6A9SLC6A5LMNACNR1CNR2
SCHEMBL2009552 0.79 SLC6A9 (0.79) SLC6A9SLC6A5UTS2RALDH1A1CNR2
SCHEMBL2011185 0.79 SLC6A9 (0.66) SLC6A9SLC6A5LMNAF2MEN1
SCHEMBL2007691 0.77 SLC6A9 (0.63) SLC6A9SLC6A5ALDH1A1L3MBTL1F2
SCHEMBL8991076 0.77 SLC6A9 (0.73) SLC6A9SLC6A5
SCHEMBL28166494 0.75 LMNA (0.60) SLC6A9UTS2RLMNAALDH1A1L3MBTL1
SCHEMBL2011802 0.75 SLC6A9 (0.88) SLC6A9SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964645-B2 Glycine transporter gene 1 (GlyT-1); psychosis, schizophrenia, dementia; activation of NMDA receptors via GlyT-1 inhibition; N-(([(4-chloro-phenyl)-phenyl-methyl]-carbamoyl)-methyl)-4-fluorobenzamide for example HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964645-B2 Glycine transporter gene 1 (GlyT-1); psychosis, schizophrenia, dementia; activation of NMDA receptors via GlyT-1 inhibition; N-(([(4-chloro-phenyl)-phenyl-methyl]-carbamoyl)-methyl)-4-fluorobenzamide for example HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964645-B2 Glycine transporter gene 1 (GlyT-1); psychosis, schizophrenia, dementia; activation of NMDA receptors via GlyT-1 inhibition; N-(([(4-chloro-phenyl)-phenyl-methyl]-carbamoyl)-methyl)-4-fluorobenzamide for example HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-2066620-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
US-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 US disclosed
US-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 US disclosed
US-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 US disclosed
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 WO disclosed
WO-2008022938-A1 DI-AROMATIC SUBSTITUTED AMIDES AS INHIBITORS FOR GLYT1 F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 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 (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-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 AGXT, SLC1A2, GRIA1 SLC6A9 43/4885SLC6A5 30/4885UTS2R 1092/4885

“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.