SCHEMBL4922346

SCHEMBL4922346

CC(C)(C)OC(=O)N1CCCc2cc(N3CC[C@H](N)C3=O)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
NR1H2 P55055 1/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
HDAC1 Q13547 1/20 0.41
LIPE Q05469 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39
KDM1A O60341 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
NAMPT P43490 2/20 0.38
MAPK1 P28482 1/20 0.38
ROCK2 O75116 1/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL4931920 0.96 NR1H2 (0.55) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL4172281 0.94 ESR2 (0.58) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL4171919 0.94 ESR2 (0.58) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL4171451 0.90 NR1H2 (0.64) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL4638117 0.88 NR1H2 (0.54) ESR2NR1H2NPC1RAB9ALIPE
SCHEMBL13991473 0.85 NR1H2 (0.54) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL4169627 0.81 NR1H2 (0.41) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL4931191 0.80 NR1H2 (0.45) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL4924112 0.79 NR1H2 (0.77) ESR2NR1H2NPC1RAB9ADDB1
SCHEMBL13890347 0.79 TMEM97 (0.44) ESR2NR1H2TMEM97SIGMAR1

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-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
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 ESR2 1283/4885NR1H2 789/4885NPC1 2067/4885

“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.