SCHEMBL5562296

SCHEMBL5562296

CC(C)CCN1CNC(=O)C12CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
OPRM1 P35372 5/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRL1 P41146 3/20 0.37
SLC6A9 P48067 9/20 0.36
HTR2C P28335 1/20 0.35
SLC6A5 Q9Y345 4/20 0.34
SORT1 Q99523 1/20 0.31
DAO P14920 1/20 0.31
CCR8 P51685 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL5562519 0.83 SLC6A9 (0.48) HSD17B10OPRM1OPRD1OPRK1OPRL1
SCHEMBL10698088 0.80 SLC6A9 (0.46) HSD17B10OPRM1OPRD1OPRK1OPRL1
SCHEMBL5849693 0.79 SLC6A9 (0.51) HSD17B10OPRM1OPRD1OPRK1OPRL1
SCHEMBL5556989 0.74 SLC18A3 (0.53) OPRM1OPRL1SLC6A9SLC6A5
SCHEMBL5556992 0.74 SLC18A3 (0.53) OPRM1OPRL1SLC6A9SLC6A5
SCHEMBL5556912 0.74 OPRL1 (0.60) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL16883674 0.73 HSD17B10 (0.51) HSD17B10OPRM1OPRD1OPRK1OPRL1
SCHEMBL5556779 0.73 SLC6A9 (0.48) OPRM1OPRD1OPRK1OPRL1SLC6A9
SCHEMBL13543075 0.72 SLC6A9 (0.58) HSD17B10OPRM1OPRD1OPRK1OPRL1
SCHEMBL5235066 0.72 HSD17B10 (0.47) HSD17B10OPRM1OPRD1OPRK1OPRL1

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 7 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
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

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 HSD17B10 2689/4885OPRM1 70/4885OPRD1 57/4885

“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.