SCHEMBL2005264

SCHEMBL2005264

O=C(O)CNC(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.58
SLC6A5 Q9Y345 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
FFAR1 O14842 1/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PLAAT3 P53816 3/20 0.51
PLAAT5 Q96KN8 3/20 0.51
PLAAT2 Q9NWW9 3/20 0.51
PLAAT4 Q9UL19 3/20 0.51
ATM Q13315 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL13851689 0.86 HDAC2 (0.55) SLC6A9SLC6A5HDAC1HDAC6PLAAT3
SCHEMBL1221588 0.84 HDAC2 (0.57) HDAC1HDAC6HDAC2HDAC8
Hydrocinnamoylglycine SCHEMBL3995983 0.84 HDAC2 (0.63) KMT2AMEN1FFAR1HDAC1HDAC6
Hydrocinnamoylglycine SCHEMBL29387246 0.84 HDAC2 (0.63) KMT2AMEN1FFAR1HDAC1HDAC6
SCHEMBL6195881 0.81 PLAAT3 (0.71) SLC6A9SLC6A5KMT2AMEN1HDAC1
SCHEMBL17229250 0.80 PLAAT3 (0.73) SLC6A9SLC6A5KMT2AMEN1PLAAT3
SCHEMBL4657034 0.80 HDAC1 (0.66) FFAR1HDAC1HDAC6HDAC3HDAC4
SCHEMBL23014303 0.80 SLC6A9 (0.62) SLC6A9SLC6A5KMT2AMEN1HDAC6
SCHEMBL349314 0.79 FFAR1 (0.71) KMT2AMEN1FFAR1PLAAT3PLAAT5
SCHEMBL2007775 0.79 POLB (0.70) KMT2AMEN1FFAR1ATMHPGD

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 10 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
CN-101500986-A Di-aryl substituted amides as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2009-08-05 CN 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 30/4885KMT2A 418/4885

“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.