SCHEMBL5953525

SCHEMBL5953525

C=CCN(C)CC1=Cc2ccccc2Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
DRD4 P21917 7/20 0.41
PYCR1 P32322 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTAFR P25105 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.30
SETD7 Q8WTS6 1/20 0.30

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
Hydrochloric Acid SCHEMBL7769532 0.99 DRD2 (0.41) DRD2DRD4PYCR1GPR84TP53
SCHEMBL5953604 0.81 DRD2 (0.44) DRD2DRD4GPR84TP53CYP1A2
SCHEMBL5953131 0.81 DRD2 (0.43) DRD2DRD4PYCR1CYP3A4LMNA
SCHEMBL5953710 0.81 DRD2 (0.43) DRD2DRD4GPR84TP53CYP1A2
SCHEMBL5953003 0.81 PTAFR (0.39) DRD2DRD4GPR84PTAFRLMNA
Omigapil SCHEMBL29377962 0.78 PYCR1 (0.45) DRD2DRD4PYCR1CYP3A4LMNA
Omigapil SCHEMBL333032 0.78 PYCR1 (0.45) DRD2DRD4PYCR1CYP3A4LMNA
SCHEMBL8890871 0.78 DRD2 (0.41) DRD2DRD4GPR84TP53CYP1A2
Maleic Acid SCHEMBL8892159 0.78 NPC1 (0.40) DRD2DRD4MAPTTDP1LMNA
SCHEMBL5953611 0.76 DRD2 (0.42) DRD2DRD4GPR84TP53CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100269-A1 Use of 10-aminoaliphatyl-dibenz[b,f]oxepines for the treatment of degenerative ocular disorders LAMBROU GEORGE N 2006-05-11 US claimed
EP-1589963-A1 USE OF 10-AMINOALIPHATYL-DIBENZ B,F OXEPINES FOR THE TR EATMENT OF DEGENERATIVE OCULAR DISORDERS Novartis AG (CH) 2005-11-02 EP claimed
WO-2004066993-A1 USE OF 10-AMINOALIPHATYL-DIBENZ[B,F]OXEPINES FOR THE TREATMENT OF DEGENERATIVE OCULAR DISORDERS NOVARTIS AG (CH) 2004-08-12 WO claimed
EP-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP claimed
EP-0726265-A1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity CIBA-GEIGY AG (CH) 1996-08-14 EP claimed
US-20060100269-A1 Use of 10-aminoaliphatyl-dibenz[b,f]oxepines for the treatment of degenerative ocular disorders LAMBROU GEORGE N 2006-05-11 US disclosed
EP-1589963-A1 USE OF 10-AMINOALIPHATYL-DIBENZ B,F OXEPINES FOR THE TR EATMENT OF DEGENERATIVE OCULAR DISORDERS Novartis AG (CH) 2005-11-02 EP disclosed
WO-2004066993-A1 USE OF 10-AMINOALIPHATYL-DIBENZ[B,F]OXEPINES FOR THE TREATMENT OF DEGENERATIVE OCULAR DISORDERS NOVARTIS AG (CH) 2004-08-12 WO disclosed
EP-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP disclosed
EP-0726265-A1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity CIBA-GEIGY AG (CH) 1996-08-14 EP 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 (1 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-20060100269-A1 Use of 10-aminoaliphatyl-dibenz[b,f]oxepines for the treatment of degenerative ocular disorders DBH, MAOB, AADAT DRD2 28/4885DRD4 79/4885PYCR1 1050/4885

“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.