SCHEMBL5556240

SCHEMBL5556240

OC1CCCCC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.47
SLC6A4 P31645 9/20 0.47
SLC6A2 P23975 5/20 0.47
KCNH2 Q12809 2/20 0.47
CYP2D6 P10635 1/20 0.47
AR P10275 3/20 0.47

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
SCHEMBL1138349 0.80 AR (0.64) AR
SCHEMBL5562442 0.79 SLC18A3 (0.53) SLC6A3SLC6A4SLC6A2AR
SCHEMBL13983010 0.78 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2KCNH2CYP2D6
SCHEMBL19749365 0.77 SLC6A2 (0.46) SLC6A3SLC6A4SLC6A2KCNH2CYP2D6
SCHEMBL21451935 0.77 AR (0.47) AR
SCHEMBL5561894 0.76 HTR2A (0.47) SLC6A3SLC6A2AR
SCHEMBL4500623 0.76 SLC6A2 (0.54) SLC6A3SLC6A4SLC6A2KCNH2CYP2D6
SCHEMBL25341890 0.75 SLC18A3 (0.49) SLC6A3SLC6A4SLC6A2AR
SCHEMBL31513775 0.75 SLC18A3 (0.49) SLC6A3SLC6A4SLC6A2AR
SCHEMBL5562090 0.75 AR (0.40) AR

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
EP-1678177-B1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2007-11-28 EP disclosed
EP-1678177-B1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2007-11-28 EP disclosed
US-7189850-B2 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-7189850-B2 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-7189850-B2 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2007-03-13 US disclosed
EP-1678177-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-12 EP disclosed
US-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease GRIN1, GRIN2A, GRM1 SLC6A3 151/4885SLC6A4 168/4885SLC6A2 265/4885

“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.