SCHEMBL8212646

SCHEMBL8212646

NCC(=O)NC(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
CNR2 P34972 1/20 0.55
HSD17B2 P37059 1/20 0.52
SLC6A9 P48067 5/20 0.51
ACP3 P15309 1/20 0.48
TSHR P16473 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
SLC6A5 Q9Y345 3/20 0.46
PDE2A O00408 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TACR1 P25103 1/20 0.45
PDPK1 O15530 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 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
Hydrochloric Acid SCHEMBL2007082 0.99 KDM4E (0.56) KDM4ECNR2HSD17B2SLC6A9ACP3
SCHEMBL4184595 0.86 TSHR (0.61) SLC6A9TSHRSLC6A5KMT2AALDH1A1
SCHEMBL2010681 0.80 LMNA (0.69) CNR2SLC6A9TSHRSLC6A5KMT2A
SCHEMBL4001999 0.80 SLC6A9 (0.63) KDM4ECNR2SLC6A9TSHRSLC6A5
SCHEMBL30530151 0.80 HSD17B2 (0.62) KDM4ECNR2HSD17B2SLC6A9ACP3
SCHEMBL15012212 0.80 CNR2 (0.66) KDM4ECNR2HSD17B2SLC6A9KMT2A
SCHEMBL3998684 0.80 SLC6A9 (0.57) KDM4ECNR2HSD17B2SLC6A9TSHR
SCHEMBL2009592 0.79 SLC6A9 (0.70) KDM4ECNR2SLC6A9SLC6A5
Hydrochloric Acid SCHEMBL2008550 0.79 LMNA (0.67) CNR2HSD17B2SLC6A9TSHRSLC6A5
Hydrochloric Acid SCHEMBL2010289 0.79 SLC6A9 (0.62) CNR2HSD17B2SLC6A9TSHRSLC6A5

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 5 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-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 KDM4E 2018/4885CNR2 1673/4885HSD17B2 1144/4885

“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.