SCHEMBL5221193

SCHEMBL5221193

CO/C=C/c1ccc(OCCCCOCc2ccccc2)nc1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.34
TLR8 Q9NR97 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DCPS Q96C86 1/20 0.33
NUDT1 P36639 1/20 0.33
NCF1 P14598 4/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
LTA4H P09960 1/20 0.32
MAPK14 Q16539 1/20 0.32
TSHR P16473 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
SCHEMBL5218282 0.78 FGFR1 (0.36) TDP1L3MBTL1MEN1KMT2A
SCHEMBL5218290 0.78 FGFR1 (0.36) TDP1L3MBTL1MEN1KMT2A
SCHEMBL5374958 0.70 HRH4 (0.44) TDP1L3MBTL1HRH4HRH3NUDT1
SCHEMBL2640223 0.67 TSHR (0.70) TDP1L3MBTL1HRH4HRH3LTA4H
SCHEMBL5362918 0.66 MGMT (0.36) TDP1L3MBTL1CYP3A4HRH4HRH3
SCHEMBL8277800 0.65 MAOB (0.43) TDP1L3MBTL1CYP3A4HRH4HRH3
SCHEMBL20129054 0.65 TSHR (0.44) TDP1L3MBTL1HRH4HRH3TSHR
SCHEMBL12561325 0.65 L3MBTL1 (0.60) TDP1L3MBTL1HRH4HRH3MEN1
SCHEMBL10390255 0.65 FAAH (0.47) TDP1L3MBTL1HRH4HRH3LTA4H
SCHEMBL5363708 0.65 NUDT1 (0.42) TDP1L3MBTL1HRH4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
WO-2007116265-A1 PROCESS FOR MAKING A TETRAHYDRO-PYRIDOAZEPIN-8-ONE COMPOUND PFIZER PRODUCTS INC. (US) 2007-10-18 WO disclosed
WO-2007116265-A1 PROCESS FOR MAKING A TETRAHYDRO-PYRIDOAZEPIN-8-ONE COMPOUND PFIZER PRODUCTS INC. (US) 2007-10-18 WO disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 TDP1 2627/4885L3MBTL1 4325/4885CYP3A4 542/4885

“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.