SCHEMBL6006280

SCHEMBL6006280

COc1ccc(OC(CCCl)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
UTS2R Q9UKP6 4/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 2/20 0.43
CNR2 P34972 1/20 0.43
SLC6A9 P48067 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CYP19A1 P11511 1/20 0.41
HPGD P15428 1/20 0.41
HTR1A P08908 1/20 0.41
AOC3 Q16853 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6004141 0.86 SLC6A4 (0.51) SLC6A4GAACNR2SLC6A9HRH3
SCHEMBL6004084 0.84 SLC6A4 (0.49) SLC6A4UTS2RSLC6A9HRH3HTR1A
SCHEMBL6005399 0.83 SLC6A4 (0.59) SLC6A4SLC6A9HTR1A
SCHEMBL6006311 0.80 SLC6A4 (0.46) SLC6A4SLC6A9HRH3CYP19A1HTR1A
SCHEMBL5662767 0.79 AOC3 (0.56) SLC6A4UTS2RGAATDP1HPGD
SCHEMBL18039190 0.77 FFAR1 (0.54) SLC6A4UTS2RCNR2SLC6A9HPGD
SCHEMBL8441624 0.76 SLC6A4 (0.54) SLC6A4SLC6A9HRH3HTR1AALDH1A1
SCHEMBL6004157 0.73 HTR1A (0.60) SLC6A4UTS2RHTR1ATSHR
SCHEMBL15342382 0.73 SLC2A1 (0.59) UTS2RGAATDP1CNR2CYP19A1
SCHEMBL6007168 0.72 SLC6A4 (0.54) SLC6A4SLC6A9HRH3HTR1ATSHR

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 SLC6A4 9/4885UTS2R 3374/4885GAA 177/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 SLC6A4 14/4885UTS2R 3869/4885GAA 250/4885

“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.