SCHEMBL5556733

SCHEMBL5556733

O=C1NCN(CCN2CCCCC2)C12CCN([C@@H]1CCCC[C@@H]1c1ccccc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 1.00
SLC6A5 Q9Y345 10/20 0.78
OPRM1 P35372 6/20 0.76
OPRL1 P41146 4/20 0.67

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
SCHEMBL5556730 1.00 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5557552 0.92 SLC6A9 (0.85) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5557557 0.92 SLC6A9 (0.85) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5563317 0.91 SLC6A9 (0.84) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5563313 0.91 SLC6A9 (0.84) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5562297 0.88 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5557565 0.88 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5561429 0.88 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5561426 0.88 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5561733 0.87 SLC6A9 (1.00) SLC6A9SLC6A5OPRM1OPRL1

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-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
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 SLC6A9 307/4885SLC6A5 306/4885OPRM1 70/4885

“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.