SCHEMBL3149773

SCHEMBL3149773

CS(=O)(=O)c1ccc(OC2CCCC2)c(C(=O)N2CCn3c(nc4ccccc43)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
GPR6 P46095 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
PDE4B Q07343 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL3155206 0.85 TSHR (0.52) SLC6A9TSHRALDH1A1HTT
SCHEMBL3143461 0.83 SLC6A9 (0.51) SLC6A9TSHRALDH1A1HTTL3MBTL1
SCHEMBL4058122 0.78 SLC6A9 (0.56) SLC6A9GPR6
SCHEMBL4058813 0.77 SLC6A9 (0.55) SLC6A9GPR6
SCHEMBL1378792 0.77 SLC6A9 (0.55) SLC6A9TSHRHTTGPR6GAA
SCHEMBL8261679 0.74 SLC6A9 (0.63) SLC6A9GAA
SCHEMBL2825315 0.72 SLC6A9 (0.54) SLC6A9GPR6
SCHEMBL27648667 0.72 SLC6A9 (0.59) SLC6A9
SCHEMBL5041953 0.72 SLC6A9 (0.83) SLC6A9
SCHEMBL4056678 0.71 SLC6A9 (0.55) SLC6A9ALDH1A1GPR6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828200-B1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. HOFFMANN LA ROCHE (CH) 2010-02-17 EP claimed
EP-1828200-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. F. Hoffmann-Roche AG (CH) 2007-09-05 EP claimed
WO-2006063709-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO claimed
US-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator HOFFMANN-LA ROCHE INC. 2006-06-15 US claimed
EP-1828200-B1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. HOFFMANN LA ROCHE (CH) 2010-02-17 EP disclosed
US-7375226-B2 Bi- and tricyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-05-20 US disclosed
US-7375226-B2 Bi- and tricyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-05-20 US disclosed
US-7375226-B2 Bi- and tricyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-05-20 US disclosed
EP-1828200-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
WO-2006063709-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator HOFFMANN-LA ROCHE INC. 2006-06-15 US 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-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator GRIN1, GRIA1, GRM1 SLC6A9 57/4885TSHR 2023/4885ALDH1A1 941/4885

“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.