SCHEMBL6005542

SCHEMBL6005542

Fc1ccc(C(CCCl)Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.57
SLC6A9 P48067 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC6A5 Q9Y345 1/20 0.48
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNK2 O95069 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
HTR1A P08908 1/20 0.43
SLC7A5 Q01650 3/20 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
SCHEMBL8441624 0.91 SLC6A4 (0.54) SLC6A4SLC6A9ALDH1A1CYP2D6MAPT
SCHEMBL6004115 0.91 SLC6A9 (0.59) SLC6A4SLC6A9ALDH1A1CYP2D6MAPT
SCHEMBL6005405 0.91 SLC6A9 (0.59) SLC6A4SLC6A9ALDH1A1CYP2D6MAPT
SCHEMBL6006253 0.91 SLC6A9 (0.59) SLC6A4SLC6A9ALDH1A1CYP2D6MAPT
SCHEMBL6004073 0.88 SLC6A4 (0.61) SLC6A4CYP2D6CYP2C9CYP2C19SLC6A2
SCHEMBL8202643 0.88 SLC6A4 (0.61) SLC6A4CYP2D6CYP2C9CYP2C19SLC6A2
SCHEMBL27422903 0.86 SLC6A4 (0.57) SLC6A4SLC6A9ALDH1A1CYP2D6MAPT
SCHEMBL6005399 0.85 SLC6A4 (0.59) SLC6A4SLC6A9SLC6A2SLC6A3HTR1A
SCHEMBL6004141 0.84 SLC6A4 (0.51) SLC6A4SLC6A9ALDH1A1CYP2D6MAPT
SCHEMBL6007102 0.83 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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 6 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
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 (1 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 9/4885SLC6A9 58/4885ALDH1A1 806/4885

“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.