SCHEMBL6004084

SCHEMBL6004084

ClCCC(Oc1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.49
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SLC6A9 P48067 2/20 0.40
DRD4 P21917 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HTR1A P08908 2/20 0.38
FFAR1 O14842 1/20 0.37
KMT2A Q03164 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
LDHA P00338 1/20 0.35
SLC6A2 P23975 2/20 0.35
AOC3 Q16853 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL6007102 0.85 SLC6A4 (0.57) SLC6A4SLC6A2
SCHEMBL6006280 0.84 SLC6A4 (0.52) SLC6A4SLC6A9HRH3HTR1AUTS2R
SCHEMBL6005399 0.83 SLC6A4 (0.59) SLC6A4PPARGPPARASLC6A9HTR1A
SCHEMBL1978003 0.82 SLC6A4 (0.54) SLC6A4HRH3KMT2ASLC6A2
SCHEMBL6006305 0.82 SLC6A4 (0.55) SLC6A4SLC6A9HRH3HTR1AKMT2A
SCHEMBL6013412 0.82 SLC6A9 (0.46) SLC6A4SLC6A9HRH3HTR1ASLC6A2
SCHEMBL6006311 0.80 SLC6A4 (0.46) SLC6A4SLC6A9HRH3HTR1AFFAR1
SCHEMBL8441624 0.76 SLC6A4 (0.54) SLC6A4SLC6A9HRH3HTR1ASLC6A2
SCHEMBL6004157 0.73 HTR1A (0.60) SLC6A4HTR1AKMT2AUTS2RSLC6A2
SCHEMBL3524687 0.72 NOS2 (0.50) SLC6A4KMT2AAOC3

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.