Sugi Predict

Sugi Predict / Compounds / SCHEMBL2007803

SCHEMBL2007803

SCHEMBL2007803

O=C(CNC(=O)c1cccs1)NC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 10/20 0.70
▸ SLC6A5 Q9Y345 7/20 0.70
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GPR139 Q6DWJ6 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ DRD3 P35462 1/20 0.52

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
SCHEMBL2012506 0.83 SLC6A9 (0.70) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL12572421 0.82 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2009334 0.82 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2010557 0.82 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2009331 0.82 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL25335178 0.80 GPR139 (0.67) NPC1RAB9AGPR139
SCHEMBL2007032 0.80 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2008516 0.80 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9ALDH1A1
SCHEMBL2009193 0.79 SLC6A9 (0.67) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2004154 0.79 SLC6A9 (0.67) SLC6A9SLC6A5ALDH1A1NPC1RAB9A

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 6 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
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 30/4885CYP2D6 581/4885

“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.