SCHEMBL4674208

SCHEMBL4674208

CC(C)(C)OC(=O)N1CCCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.58
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
ESR2 Q92731 1/20 0.53
DRD2 P14416 1/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DPP7 Q9UHL4 1/20 0.45
MAPK1 P28482 1/20 0.44
AKR1C3 P42330 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
RIPK1 Q13546 1/20 0.43
HDAC1 Q13547 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL30130812 0.93 NR1H2 (0.67) NR1H2ALDH1A1MAPTLMNAESR2
SCHEMBL396485 0.93 NR1H2 (0.67) NR1H2ALDH1A1MAPTLMNAESR2
SCHEMBL1393643 0.89 ALDH1A1 (0.57) NR1H2ALDH1A1MAPTLMNAESR2
SCHEMBL6499027 0.88 ESR2 (0.69) NR1H2ALDH1A1MAPTLMNAESR2
SCHEMBL2306719 0.86 ALDH1A1 (0.62) NR1H2ALDH1A1MAPTLMNAESR2
SCHEMBL29598893 0.83 ESR2 (0.76) NR1H2ESR2DRD2NPC1RAB9A
SCHEMBL1648703 0.83 ESR2 (0.76) NR1H2ESR2DRD2NPC1RAB9A
SCHEMBL24265586 0.81 NR1H2 (0.62) NR1H2ESR2NPC1RAB9AMAPK1
SCHEMBL29574152 0.81 NR1H2 (0.62) NR1H2ESR2NPC1RAB9AMAPK1
SCHEMBL1649493 0.81 NR1H2 (0.62) NR1H2ALDH1A1ESR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors CAMUS LAURE 2008-12-11 US disclosed
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors CAMUS LAURE 2008-12-11 US disclosed
US-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors CAMUS LAURE 2008-12-11 US disclosed
EP-1951712-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-08-06 EP disclosed
WO-2007059952-A2 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-05-31 WO disclosed
WO-2007059952-A2 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-05-31 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-20080306045-A1 1-Benzazepine-3-Sulfonylamino-2-Pyrroridones as Factor Xa Inhibitors TFPI, TPSAB1, TFPI2 NR1H2 789/4885ALDH1A1 308/4885MAPT 4116/4885

“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.