SCHEMBL2011885

SCHEMBL2011885

O=C(CNC(=O)OCc1ccccc1)NC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.70
SLC6A5 Q9Y345 6/20 0.67
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TP53 P04637 1/20 0.53
CYP3A4 P08684 2/20 0.53
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
NPBWR1 P48145 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MCHR1 Q99705 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2009811 0.82 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9ALDH1A1
SCHEMBL2009327 0.81 SLC6A9 (0.64) SLC6A9SLC6A5CYP2D6CYP2C9TSHR
SCHEMBL30345149 0.80 TP53 (0.50) SLC6A9SLC6A5TP53SMN1; SMN2
SCHEMBL2015652 0.80 SLC6A9 (0.73) SLC6A9SLC6A5CYP2D6CYP2C9ALDH1A1
SCHEMBL28176769 0.80 ATM (0.60) CYP3A4ALDH1A1TSHRMAPTNPBWR1
SCHEMBL12630638 0.80 SLC6A9 (0.62) SLC6A9SLC6A5CYP2D6CYP2C9CYP3A4
SCHEMBL29005164 0.79 CTSK (0.49) SLC6A9SLC6A5TP53HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL29005181 0.79 TP53 (0.49) SLC6A9SLC6A5TP53SMN1; SMN2
SCHEMBL2008051 0.79 SLC6A9 (0.97) SLC6A9SLC6A5CYP2D6CYP2C9ALDH1A1
SCHEMBL12572421 0.78 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9

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 30/4885CYP2D6 581/4885

“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.