SCHEMBL6984149

SCHEMBL6984149

COc1ccc(CC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2OCc2ccccc2Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.47
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.44
APP P05067 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HCRTR1 O43613 1/20 0.43

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
SCHEMBL9373146 0.85 CYP2C9 (0.46) ALDH1A1TP53KMT2ACYP2C19CYP2C9
SCHEMBL4296465 0.72 HPGD (0.57) ALDH1A1SMN1; SMN2GAA
SCHEMBL13865073 0.72 TSHR (0.71) ALDH1A1TSHRL3MBTL1TP53KMT2A
SCHEMBL3504947 0.71 HPGD (0.58) ALDH1A1L3MBTL1KMT2ACYP2C19CYP2C9
SCHEMBL9372814 0.71 HPGD (0.58) ALDH1A1L3MBTL1KMT2ACYP2C19CYP2C9
SCHEMBL7475648 0.71 HPGD (0.58) ALDH1A1L3MBTL1KMT2ACYP2C19CYP2C9
SCHEMBL7476802 0.70 TRPV6 (0.46) SMN1; SMN2
SCHEMBL845279 0.69 ALDH1A1 (0.53) ALDH1A1TP53KMT2ACYP2C19CYP2C9
SCHEMBL21874295 0.68 EP300 (0.75) L3MBTL1KMT2AMAPK1
SCHEMBL29510867 0.68 EP300 (0.75) L3MBTL1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020133004-A1 Process for producing new oxazepine derivatives AJINOMOTO CO. INC (JP) 2002-09-19 US claimed
EP-1219611-A4 NOVEL PROCESSES FOR PREPARING OXAZEPINE DERIVATIVES AJINOMOTO KK (JP) 2003-03-19 EP disclosed
US-20020133004-A1 Process for producing new oxazepine derivatives AJINOMOTO CO. INC (JP) 2002-09-19 US disclosed
WO-2001017980-A1 NOVEL PROCESSES FOR PREPARING OXAZEPINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2001-03-15 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-20020133004-A1 Process for producing new oxazepine derivatives KMO, CYP4B1, GRIN2B ALDH1A1 391/4885TSHR 3628/4885L3MBTL1 3497/4885

“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.