SCHEMBL5953586

SCHEMBL5953586

Fc1cccc2c1C=C(CN1CCCC1)c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
CYP2A13 Q16696 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
PTGS2 P35354 1/20 0.34
HTT P42858 1/20 0.34
LTA4H P09960 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL5953572 0.84 POLB (0.42) ALDH1A1CYP2A13SMN1; SMN2KDM4EPOLB
Hydrochloric Acid SCHEMBL9056165 0.83 POLB (0.41) ALDH1A1CYP2A13SMN1; SMN2KDM4EPOLB
SCHEMBL5953609 0.80 DRD2 (0.48) ALDH1A1KDM4EHTTLTA4HCYP1A2
SCHEMBL5953434 0.79 DRD2 (0.47) ALDH1A1KDM4EHTTLTA4HCYP1A2
Hydrochloric Acid SCHEMBL9054931 0.78 DRD2 (0.46) ALDH1A1SMN1; SMN2KDM4EHTTLTA4H
SCHEMBL5953708 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EHTTMEN1CYP1A2
Hydrochloric Acid SCHEMBL9054765 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL5953188 0.69 DRD2 (0.46) ALDH1A1CYP2A13SMN1; SMN2KDM4ETSHR
SCHEMBL8894368 0.69 DRD2 (0.45) POLBCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8892053 0.69 SIGMAR1 (0.50) POLBDRD2DRD4

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 ALDH1A1 793/4885CYP2A13 816/4885SMN1; SMN2 3699/4885

“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.