SCHEMBL6005596

SCHEMBL6005596

COC(=O)C1CCCCN1CCC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
CYP2D6 P10635 3/20 0.51
MAPK1 P28482 2/20 0.51
CHRM2 P08172 5/20 0.49
CHRM1 P11229 5/20 0.49
LMNA P02545 3/20 0.49
HTR1A P08908 2/20 0.49
OPRM1 P35372 2/20 0.49
KCNH2 Q12809 2/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CHRM4 P08173 4/20 0.44
CHRM5 P08912 4/20 0.44
CHRM3 P20309 4/20 0.44
KDM4E B2RXH2 4/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
DRD3 P35462 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
SCHEMBL24168885 0.84 LTA4H (0.56) LTA4HKMT2ASMN1; SMN2ALDH1A1FKBP1A
SCHEMBL22459109 0.84 LTA4H (0.56) LTA4HKMT2ASMN1; SMN2ALDH1A1FKBP1A
SCHEMBL22459103 0.84 LTA4H (0.56) LTA4HKMT2ASMN1; SMN2ALDH1A1FKBP1A
SCHEMBL6004092 0.84 ALDH1A1 (0.44) LTA4HMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6013739 0.82 KDM4E (0.41) LTA4HMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16517870 0.78 LTA4H (0.77) LTA4H
SCHEMBL28817980 0.78 LTA4H (0.77) LTA4H
SCHEMBL6004077 0.78 LTA4H (0.55) LTA4HLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7181767 0.77 MEN1 (0.60) LTA4HMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6540812 0.77 MEN1 (0.60) LTA4HMEN1KMT2ASMN1; SMN2KDM4E

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 1840/4885CYP2D6 330/4885MAPK1 3422/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 LTA4H 2230/4885CYP2D6 287/4885MAPK1 1560/4885

“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.