SCHEMBL6004122

SCHEMBL6004122

CC(C)(C)c1ccc(OC(CCCl)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.56
SLC6A4 P31645 8/20 0.54
SLC6A2 P23975 4/20 0.54
SLC6A3 Q01959 4/20 0.54
KCNK2 O95069 2/20 0.54
KCNH2 Q12809 2/20 0.54
CACNA1C Q13936 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
HRH3 Q9Y5N1 2/20 0.53
NPC1 O15118 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
MTOR P42345 2/20 0.53
RAB9A P51151 2/20 0.53
CYP3A4 P08684 2/20 0.53
HTR2C P28335 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL6005390 0.86 SLC6A4 (0.49) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL6005532 0.85 SLC6A4 (0.48) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL5577138 0.85 SLC6A4 (0.74) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL5401880 0.85 SLC6A4 (0.74) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL5574872 0.85 SLC6A4 (0.74) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL2690834 0.85 SLC6A4 (0.74) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL6004073 0.84 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL8202643 0.84 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL6007168 0.83 SLC6A4 (0.54) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL6258828 0.82 SLC6A4 (0.54) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2

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 5 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
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

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 SLC6A9 58/4885SLC6A4 9/4885SLC6A2 4/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 SLC6A9 75/4885SLC6A4 14/4885SLC6A2 5/4885

“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.