SCHEMBL5953572

SCHEMBL5953572

Clc1cccc2c1C=C(CN1CCCC1)c1ccccc1O2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2A13 Q16696 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
LTA4H P09960 4/20 0.35
AHR P35869 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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 SCHEMBL9056165 0.99 POLB (0.41) POLBKDM4EALDH1A1CYP2A13SMN1; SMN2
SCHEMBL5953586 0.84 ALDH1A1 (0.44) POLBKDM4EALDH1A1CYP2A13SMN1; SMN2
SCHEMBL5953609 0.80 DRD2 (0.48) KDM4EALDH1A1CYP2D6CYP2C19LTA4H
SCHEMBL5953434 0.79 DRD2 (0.47) KDM4EALDH1A1CYP2D6CYP2C19LTA4H
SCHEMBL5953201 0.78 POLB (0.40) POLBKDM4EALDH1A1CYP2A13SMN1; SMN2
Hydrochloric Acid SCHEMBL9054931 0.78 DRD2 (0.46) KDM4EALDH1A1SMN1; SMN2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL9054989 0.77 POLB (0.39) POLBKDM4EALDH1A1CYP2A13SMN1; SMN2
SCHEMBL7769094 0.77 AHR (0.41) KDM4ESMN1; SMN2CYP2D6HPGDAHR
SCHEMBL7765648 0.77 AHR (0.41) KDM4ESMN1; SMN2CYP2D6HPGDAHR
SCHEMBL5953744 0.73 DRD2 (0.46) KDM4EALDH1A1SMN1; SMN2CYP2D6CYP2C19

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-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-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-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 POLB 2990/4885KDM4E 1393/4885ALDH1A1 793/4885

“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.