SCHEMBL6006358

SCHEMBL6006358

CCOC(=O)CN(C)CCC(c1ccccc1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SLC6A9 P48067 10/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL6005401 0.79 LTA4H (0.50) LTA4HSMN1; SMN2ALDH1A1MAPTSLC6A9
SCHEMBL6006261 0.79 LTA4H (0.50) LTA4HSMN1; SMN2ALDH1A1MAPTSLC6A9
SCHEMBL6003359 0.78 LTA4H (0.49) LTA4HSMN1; SMN2ALDH1A1MAPTSLC6A9
SCHEMBL6004132 0.75 SLC6A9 (0.64) ALDH1A1MAPTSLC6A9
SCHEMBL6005570 0.74 LTA4H (0.46) LTA4HSMN1; SMN2ALDH1A1MAPTSLC6A9
Fumaric Acid SCHEMBL6937135 0.72 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTNPSR1PKM
Fumaric Acid SCHEMBL6937142 0.72 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTNPSR1PKM
SCHEMBL13236794 0.72 AHR (0.41) SMN1; SMN2ALDH1A1HPGDHTTKDM4E
SCHEMBL6006325 0.71 SLC6A9 (0.72) ALDH1A1MAPTSLC6A9
Hydrochloric Acid SCHEMBL6934707 0.71 HTR2A (0.45) SMN1; SMN2ALDH1A1MAPTNPSR1PKM

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 LTA4H 1840/4885SMN1; SMN2 117/4885ALDH1A1 806/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 LTA4H 2230/4885SMN1; SMN2 55/4885ALDH1A1 357/4885

“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.