SCHEMBL2011785

SCHEMBL2011785

CC(NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.67
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
SLC6A5 Q9Y345 5/20 0.50
NPSR1 Q6W5P4 1/20 0.48
GPR139 Q6DWJ6 3/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR3 Q99500 1/20 0.44
PDE2A O00408 1/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL2011783 1.00 SLC6A9 (0.67) SLC6A9NPC1ALDH1A1GAASLC6A5
SCHEMBL2009265 0.80 SLC6A9 (1.00) SLC6A9SLC6A5GPR139HTT
SCHEMBL4002174 0.79 SLC6A9 (0.81) SLC6A9NPC1ALDH1A1SLC6A5GPR139
SCHEMBL4002173 0.79 SLC6A9 (0.81) SLC6A9NPC1ALDH1A1SLC6A5GPR139
SCHEMBL2008251 0.77 SLC6A9 (0.94) SLC6A9SLC6A5GPR139HTT
SCHEMBL13890815 0.76 GPR139 (0.65) SLC6A9NPC1ALDH1A1NPSR1GPR139
SCHEMBL28830806 0.75 HPGDS (0.68) SLC6A9NPC1ALDH1A1GAASMN1; SMN2
SCHEMBL5521051 0.75 ALDH1A1 (0.76) SLC6A9NPC1ALDH1A1GAASLC6A5
SCHEMBL2007906 0.75 SLC6A9 (0.85) SLC6A9SLC6A5GPR139
SCHEMBL2013065 0.74 SLC6A9 (0.88) SLC6A9SLC6A5GPR139HTT

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 2 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-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 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-20080076806-A1 Di-aromatic substituted amides as inhibitors for GlyT-1 AGXT, SLC1A2, GRIA1 SLC6A9 43/4885NPC1 363/4885ALDH1A1 413/4885

“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.