SCHEMBL6004077

SCHEMBL6004077

COC(=O)C1CCCCN1CCC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 5/20 0.51
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
CTSK P43235 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
FKBP1A P62942 1/20 0.44
ACE P12821 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44

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
SCHEMBL6003941 0.88 KMT2A (0.47) LTA4HALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL20248642 0.87 CTSK (0.56) LTA4HALDH1A1KMT2ASMN1; SMN2CTSK
SCHEMBL18352761 0.83 LTA4H (0.55) LTA4HALDH1A1KMT2ACTSKMEN1
SCHEMBL2774396 0.81 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2FKBP1AACE
SCHEMBL2770248 0.81 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2FKBP1AACE
SCHEMBL2770247 0.81 LTA4H (0.67) LTA4HALDH1A1SMN1; SMN2FKBP1AACE
SCHEMBL28817980 0.80 LTA4H (0.77) LTA4HPTGER4PTGER2
SCHEMBL16517870 0.80 LTA4H (0.77) LTA4HPTGER4PTGER2
SCHEMBL6540812 0.79 MEN1 (0.60) LTA4HALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7181767 0.79 MEN1 (0.60) LTA4HALDH1A1KMT2ASMN1; SMN2MEN1

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 1840/4885ALDH1A1 806/4885KMT2A 476/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 LTA4H 2230/4885ALDH1A1 357/4885KMT2A 529/4885

“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.