SCHEMBL2009718

SCHEMBL2009718

O=C(CCc1ccccc1)NCC(=O)NC(c1ccccc1)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.62
SLC6A5 Q9Y345 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
MAPT P10636 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL2009615 0.85 SLC6A9 (0.72) SLC6A9SLC6A5POLBPLAAT3PLAAT5
SCHEMBL2011185 0.84 SLC6A9 (0.66) SLC6A9SLC6A5SMN1; SMN2POLBGPR139
SCHEMBL2010524 0.82 SLC6A9 (0.74) SLC6A9SLC6A5GPR139CYP2C9
SCHEMBL2007691 0.81 SLC6A9 (0.63) SLC6A9SLC6A5POLBPLAAT3PLAAT5
SCHEMBL2008051 0.76 SLC6A9 (0.97) SLC6A9SLC6A5PLAAT3PLAAT5PLAAT2
SCHEMBL2010356 0.75 SLC6A9 (0.95) SLC6A9SLC6A5PLAAT3PLAAT5PLAAT2
SCHEMBL2009593 0.72 SLC6A9 (0.77) SLC6A9SLC6A5PLAAT3PLAAT5PLAAT2
SCHEMBL2349204 0.72 ALDH1A1 (0.67) SMN1; SMN2POLBCYP1A2CYP2C9CYP2C19
SCHEMBL2012318 0.71 SLC6A9 (0.86) SLC6A9SLC6A5CYP2C9
SCHEMBL3998684 0.70 SLC6A9 (0.57) SLC6A9SLC6A5GPR139CYP2C9TSHR

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 30/4885SMN1; SMN2 2156/4885

“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.