SCHEMBL6005382

SCHEMBL6005382

CCOC(=O)CNCCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.55
LTA4H P09960 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
BTN3A1 O00481 3/20 0.46
PPID Q08752 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL7502446 0.82 TBXAS1 (0.53) TBXAS1SIGMAR1
SCHEMBL14578224 0.81 TBXAS1 (0.64) TBXAS1SMN1; SMN2ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL6004103 0.81 TBXAS1 (0.51) TBXAS1SIGMAR1
SCHEMBL10894611 0.79 TBXAS1 (0.54) TBXAS1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL6358354 0.76 KMT2A (0.55) LTA4HSMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL28910995 0.75 LTA4H (0.62) LTA4HSMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL7415640 0.75 LTA4H (0.63) LTA4HSMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10908450 0.74 PPID (0.57) TBXAS1SMN1; SMN2ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL27717592 0.74 LTA4H (0.61) LTA4HSMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL12559711 0.74 PPID (0.64) LTA4HSMN1; SMN2ALDH1A1MAPTHPGD

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 8 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
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
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 (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 TBXAS1 2326/4885LTA4H 1840/4885SMN1; SMN2 117/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 TBXAS1 2524/4885LTA4H 2230/4885SMN1; SMN2 55/4885

“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.