SCHEMBL6006366

SCHEMBL6006366

ClCCC(Oc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.49
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
PTPN7 P35236 1/20 0.46
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNK2 O95069 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SLC7A5 Q01650 1/20 0.42

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
SCHEMBL14085590 0.84 CACNA2D1 (0.48) SLC6A4
SCHEMBL4851309 0.84 CACNA2D1 (0.48) SLC6A4
SCHEMBL14085599 0.84 CACNA2D1 (0.48) SLC6A4
SCHEMBL6004073 0.83 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL8202643 0.83 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5664924 0.83 SLC6A4 (0.70) SLC6A4PPARGPPARASLC6A2SLC6A3
SCHEMBL5869289 0.82 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5869711 0.82 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5869336 0.82 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5869273 0.82 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. 2006-12-21 US disclosed
EP-1014966-B1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2006-08-02 EP disclosed
US-7019024-B2 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. (US) 2006-03-28 US disclosed
EP-1014966-A4 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2001-10-04 EP disclosed
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders NPS PHARMACEUTICALS, INC. 2001-08-09 US disclosed
US-6191165-B1 ANTIDEPRESSANTS; SCHIZOPHRENIA; ALZHEIMER'S DISEASE; ANTIEPILEPTIC AGENTS ALLELIX NEUROSCIENCE INC. 2001-02-20 US disclosed
EP-1014966-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Allelix Neuroscience Inc. (US) 2000-07-05 EP disclosed
WO-1997045115-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS TROPHIX PHARMACEUTICALS, INC. (US) 1997-12-04 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 (2 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-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC18A2, SLC6A1, SLC6A11 SLC6A4 9/4885PPARG 1787/4885PPARA 2497/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 SLC6A4 14/4885PPARG 2410/4885PPARA 3300/4885

“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.