SCHEMBL6006311

SCHEMBL6006311

N#Cc1ccc(OC(CCCl)c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CYP19A1 P11511 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
FFAR1 O14842 1/20 0.40
NOS2 P35228 3/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A9 P48067 2/20 0.38
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
HTR1A P08908 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6004072 0.87 SLC6A4 (0.47) SLC6A4MAOBHRH3NOS2CYP2D6
SCHEMBL6006111 0.83 SLC6A4 (0.44) SLC6A4MAOBCYP19A1HRH3FFAR1
SCHEMBL6004084 0.80 SLC6A4 (0.49) SLC6A4HRH3FFAR1SLC6A2SLC6A9
SCHEMBL6006280 0.80 SLC6A4 (0.52) SLC6A4CYP19A1HRH3SLC6A9HTR1A
SCHEMBL6005399 0.80 SLC6A4 (0.59) SLC6A4FFAR1SLC6A2SLC6A9HTR1A
SCHEMBL8441624 0.73 SLC6A4 (0.54) SLC6A4HRH3CYP2D6SLC6A2SLC6A9
SCHEMBL7444573 0.72 CNR1 (0.46) MAOAMAOBCYP19A1S1PR1S1PR3
SCHEMBL8666319 0.72 CYP19A1 (0.41) MAOAMAOBCYP19A1CYP2D6SLC6A9
SCHEMBL18306892 0.70 ALDH1A1 (0.47) HRH3SMN1; SMN2
SCHEMBL6004157 0.70 HTR1A (0.60) SLC6A4MAOAMAOBCYP2D6SLC6A2

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 7 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
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 9/4885MAOA 70/4885MAOB 54/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 SLC6A4 14/4885MAOA 94/4885MAOB 98/4885

“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.