SCHEMBL5557067

SCHEMBL5557067

NC(=O)C1(Nc2ccccc2)CCN(C2CCCCC2c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.48
SLC6A5 Q9Y345 9/20 0.48
OPRM1 P35372 8/20 0.48
KCNH2 Q12809 1/20 0.48
OPRL1 P41146 4/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL5557070 1.00 SLC6A9 (0.48) SLC6A9SLC6A5OPRM1KCNH2OPRL1
SCHEMBL14573345 1.00 SLC6A9 (0.48) SLC6A9SLC6A5OPRM1KCNH2OPRL1
SCHEMBL8285368 0.85 SLC18A3 (0.51) CA12CA1CA2CA4CA5A
SCHEMBL14573333 0.85 ALDH1A1 (0.56) SLC6A9SLC6A5OPRM1KCNH2OPRL1
SCHEMBL8286201 0.85 ALDH1A1 (0.56) SLC6A9SLC6A5OPRM1KCNH2OPRL1
SCHEMBL5556323 0.85 ALDH1A1 (0.56) SLC6A9SLC6A5OPRM1KCNH2OPRL1
SCHEMBL8287993 0.85 SLC6A9 (0.47) SLC6A9SLC6A5OPRM1KCNH2OPRL1
SCHEMBL5556321 0.85 ALDH1A1 (0.56) SLC6A9SLC6A5OPRM1KCNH2OPRL1
SCHEMBL5555960 0.84 SLC6A9 (0.51) SLC6A9SLC6A5OPRM1KCNH2OPRL1
SCHEMBL5557850 0.84 SLC6A9 (0.50) SLC6A9SLC6A5OPRM1KCNH2OPRL1

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.