SCHEMBL6006914

SCHEMBL6006914

O=[N+]([O-])c1ccc(OC(CCCl)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
SLC6A4 P31645 7/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP19A1 P11511 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KCNK2 O95069 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 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
SCHEMBL6005254 1.00 HTR1A (0.52) HTR1ASLC6A4ALDH1A1HTTHRH3
SCHEMBL17278115 0.82 SLC7A5 (0.61) HTR1ASLC6A4HRH3SLC6A2SLC6A3
SCHEMBL9501079 0.82 SLC6A4 (0.61) HTR1ASLC6A4HRH3SLC6A9
SCHEMBL6004073 0.81 SLC6A4 (0.61) SLC6A4HTTHRH3SLC6A2SLC6A3
SCHEMBL8202643 0.81 SLC6A4 (0.61) SLC6A4HTTHRH3SLC6A2SLC6A3
SCHEMBL6007100 0.79 SLC6A4 (0.51) SLC6A4ALDH1A1HRH3SLC6A9SLC6A2
SCHEMBL6004079 0.79 SLC6A4 (0.51) SLC6A4ALDH1A1HRH3SLC6A9SLC6A2
SCHEMBL6006329 0.79 SLC6A4 (0.51) SLC6A4ALDH1A1HRH3SLC6A9SLC6A2
SCHEMBL5661362 0.79 SLC6A4 (0.54) SLC6A4HTTHRH3SLC6A2SLC6A3
SCHEMBL6006120 0.79 SLC6A4 (0.54) SLC6A4HTTHRH3SLC6A2SLC6A3

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
CN-1327383-A Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALERICS NEUROSCIENCE CO (US) 2001-12-19 CN 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
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 HTR1A 145/4885SLC6A4 9/4885ALDH1A1 806/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 HTR1A 43/4885SLC6A4 14/4885ALDH1A1 357/4885

“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.