SCHEMBL2011027

SCHEMBL2011027

NC(c1ccccc1)c1cc(F)cc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.55
▸ TDO2 P48775 2/20 0.55
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ OPRL1 P41146 2/20 0.46
▸ DPP4 P27487 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ GBA1 P04062 3/20 0.44
▸ NR1I2 O75469 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39

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 SCHEMBL2009070 0.98 IDO1 (0.58) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL12696930 0.84 IDO1 (0.56) IDO1TDO2OPRM1OPRD1OPRK1
SCHEMBL3061827 0.81 DPP4 (0.48) IDO1TDO2DPP4F2
Aminodiphenylmethane SCHEMBL7841 0.80 DPP4 (0.65) DPP4F2
Hydrochloric Acid SCHEMBL2984894 0.79 IDO1 (0.46) IDO1TDO2DPP4F2
SCHEMBL11478580 0.77 DPP4 (0.61) DPP4F2
Aminodiphenylmethane SCHEMBL2408346 0.77 DPP4 (0.61) DPP4F2
SCHEMBL11480062 0.77 DPP4 (0.61) DPP4F2
Aminodiphenylmethane SCHEMBL6970159 0.77 DPP4 (0.61) DPP4F2
Aminodiphenylmethane SCHEMBL9596876 0.77 DPP4 (0.61) DPP4F2

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 IDO1 290/4885TDO2 809/4885OPRM1 1236/4885

“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.

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