SCHEMBL6005586

SCHEMBL6005586

CCOC(=O)CNCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CASR P41180 2/20 0.51
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
PPID Q08752 1/20 0.48
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
MMP8 P22894 1/20 0.47
EPHX2 P34913 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL6006300 0.91 LTA4H (0.56) LTA4HMTNR1AMTNR1BCASRALDH1A1
SCHEMBL5026067 0.84 CYP3A4 (0.58) LTA4HMTNR1AMTNR1BCASRALDH1A1
SCHEMBL2436363 0.81 CNR1 (0.50) MTNR1AMTNR1BCASRCNR1CNR2
SCHEMBL2427018 0.79 CASR (0.52) MTNR1AMTNR1BCASRALDH1A1KMT2A
SCHEMBL28633131 0.79 SMN1; SMN2 (0.51) MTNR1AMTNR1BCASRALDH1A1KMT2A
SCHEMBL329180 0.79 MTNR1A (0.58) MTNR1AMTNR1BCASRCNR1CNR2
SCHEMBL7415640 0.78 LTA4H (0.63) LTA4HALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL27717592 0.77 LTA4H (0.61) LTA4HALDH1A1MAPTHPGDKMT2A
SCHEMBL12559711 0.77 PPID (0.64) LTA4HALDH1A1MAPTHPGDKMT2A
SCHEMBL7446250 0.76 NPSR1 (0.60) ALDH1A1MAPTHPGDKMT2APPID

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 1840/4885MTNR1A 654/4885MTNR1B 438/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 LTA4H 2230/4885MTNR1A 425/4885MTNR1B 345/4885

“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.