SCHEMBL5953497

SCHEMBL5953497

C#CCN(C)CC1=Cc2ccc(C(F)(F)F)cc2Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 11/20 0.46
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLQ O75417 1/20 0.32
DHFR P00374 1/20 0.32
TYMS P04818 1/20 0.32
TACR1 P25103 1/20 0.32

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
Omigapil SCHEMBL333032 0.84 PYCR1 (0.45) PYCR1LMNAMAOAMAOBUSP2
Omigapil SCHEMBL29377962 0.84 PYCR1 (0.45) PYCR1LMNAMAOAMAOBUSP2
SCHEMBL5953508 0.80 PYCR1 (0.37) PYCR1CYP1A2CYP2D6LMNAMAOA
SCHEMBL7769548 0.77 CYP1A2 (0.37) CYP1A2CYP2D6MAOA
SCHEMBL7769089 0.77 CYP1A2 (0.37) CYP1A2CYP2D6MAOAALDH1A1TYMS
Omigapil SCHEMBL978230 0.75 PYCR1 (0.40) PYCR1LMNAMAOAMAOBUSP2
Omigapil SCHEMBL5953608 0.75 PYCR1 (0.40) PYCR1LMNAMAOAMAOBUSP2
Omigapil SCHEMBL5953610 0.75 PYCR1 (0.40) PYCR1LMNAMAOAMAOBUSP2
Omigapil SCHEMBL29369408 0.75 PYCR1 (0.40) PYCR1LMNAMAOAMAOBUSP2
Omigapil SCHEMBL978229 0.75 PYCR1 (0.40) PYCR1LMNAMAOAMAOBUSP2

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 7 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
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

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 PYCR1 1050/4885CYP1A2 1129/4885CYP2D6 1756/4885

“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.