SCHEMBL2011185

SCHEMBL2011185

O=C(CCc1ccccc1)NCC(=O)NC(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.66
SLC6A5 Q9Y345 3/20 0.65
GPR139 Q6DWJ6 1/20 0.52
KDM4E B2RXH2 1/20 0.47
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
S1PR3 Q99500 1/20 0.45
ACP3 P15309 1/20 0.45
BCHE P06276 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
F2 P00734 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44

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 0.90 SLC6A9 (0.72) SLC6A9SLC6A5KDM4EPOLBGAA
SCHEMBL4001812 0.85 SLC6A9 (0.69) SLC6A9SLC6A5GPR139KDM4ESMN1; SMN2
SCHEMBL2009718 0.84 SLC6A9 (0.62) SLC6A9SLC6A5GPR139SMN1; SMN2MAPT
SCHEMBL2005249 0.83 SLC6A9 (0.87) SLC6A9SLC6A5GPR139KDM4EHTT
SCHEMBL2007691 0.81 SLC6A9 (0.63) SLC6A9SLC6A5ACP3POLBGAA
SCHEMBL2009265 0.79 SLC6A9 (1.00) SLC6A9SLC6A5GPR139HTT
SCHEMBL2009593 0.79 SLC6A9 (0.77) SLC6A9SLC6A5LMNAGAAF2
SCHEMBL2008051 0.77 SLC6A9 (0.97) SLC6A9SLC6A5F2RAB9AMEN1
SCHEMBL2010356 0.76 SLC6A9 (0.95) SLC6A9SLC6A5GPR139MEN1KMT2A
SCHEMBL2012439 0.76 SLC6A9 (0.78) 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 7 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
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

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 30/4885GPR139 795/4885

“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.