SCHEMBL3155248

SCHEMBL3155248

FC(F)(F)Oc1ccc2c(c1)cc1n2CCNC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.69
HTR2A P28223 8/20 0.69
SCN9A Q15858 2/20 0.43
SCN4A P35499 1/20 0.43
PIM1 P11309 1/20 0.37
MAOA P21397 1/20 0.36
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
S1PR1 P21453 2/20 0.33
MCHR1 Q99705 1/20 0.33
SLC6A2 P23975 3/20 0.33

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
SCHEMBL970777 0.82 HTR2A (1.00) HTR2CHTR2A
SCHEMBL30104796 0.79 HTR2C (0.62) HTR2CHTR2AKCNH2
SCHEMBL6713758 0.79 HTR2C (0.51) HTR2CHTR2ASCN9ASCN4APIM1
SCHEMBL4705406 0.77 HTR2A (0.68) HTR2CHTR2AKCNH2SLC6A2
SCHEMBL6718716 0.75 HTR2C (0.44) HTR2CHTR2ASCN9ASCN4APIM1
SCHEMBL5917403 0.74 HTR2A (0.68) HTR2CHTR2A
SCHEMBL5917499 0.74 HTR2C (1.00) HTR2CHTR2A
SCHEMBL4705400 0.74 HTR2A (0.68) HTR2CHTR2AMAOAKCNH2SLC6A2
SCHEMBL13226939 0.73 HTR2A (0.62) HTR2CHTR2AKCNH2
SCHEMBL13208414 0.73 HTR2A (0.62) HTR2CHTR2AKCNH2

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
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
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 HTR2C 160/4885HTR2A 199/4885SCN9A 1671/4885

“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.