SCHEMBL2009552

SCHEMBL2009552

COc1ccc(CCC(=O)NCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.79
SLC6A5 Q9Y345 8/20 0.79
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
ATM Q13315 1/20 0.56
UTS2R Q9UKP6 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL2010356 0.91 SLC6A9 (0.95) SLC6A9SLC6A5KMT2AMEN1UTS2R
SCHEMBL2008051 0.88 SLC6A9 (0.97) SLC6A9SLC6A5KMT2AMEN1UTS2R
SCHEMBL2008486 0.84 SLC6A9 (0.82) SLC6A9SLC6A5KMT2AMEN1ALDH1A1
SCHEMBL2012318 0.82 SLC6A9 (0.86) SLC6A9SLC6A5CNR2HPGDCYP2D6
SCHEMBL2009593 0.79 SLC6A9 (0.77) SLC6A9SLC6A5KMT2AMEN1UTS2R
SCHEMBL2011188 0.77 SLC6A9 (0.64) SLC6A9SLC6A5KMT2AMEN1CYP2D6
SCHEMBL2009811 0.77 SLC6A9 (1.00) SLC6A9SLC6A5KMT2AMEN1UTS2R
SCHEMBL2007775 0.75 POLB (0.70) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL2009615 0.74 SLC6A9 (0.72) SLC6A9SLC6A5CNR2ALDH1A1POLB
SCHEMBL6092302 0.73 KMT2A (0.64) KMT2AMEN1ATMUTS2RCNR2

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 30/4885KMT2A 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.