SCHEMBL741883

SCHEMBL741883

CC(C)(C)OC(=O)N1CCc2c[nH]c3cccc(c23)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
MAPK1 P28482 1/20 0.52
NR1H2 P55055 1/20 0.52
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
PRMT5 O14744 4/20 0.44
WDR77 Q9BQA1 4/20 0.44
NAMPT P43490 3/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 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
SCHEMBL16353839 0.95 ESR2 (0.53) ESR2MAPK1NR1H2DRD2DRD1
SCHEMBL4555519 0.81 GABRA1 (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL762909 0.80 CRBN (0.47) ESR2MAPK1NR1H2NAMPTDDB1
SCHEMBL1202402 0.79 ESR2 (0.70) ESR2MAPK1NR1H2PRMT5WDR77
SCHEMBL29369046 0.79 ESR2 (0.70) ESR2MAPK1NR1H2PRMT5WDR77
Ammonia Solution, Strong SCHEMBL30461763 0.78 ESR2 (0.68) ESR2MAPK1NR1H2PRMT5WDR77
SCHEMBL7974875 0.76 ESR2 (0.62) ESR2MAPK1NR1H2NAMPTDDB1
SCHEMBL18009774 0.75 ESR2 (0.54) ESR2MAPK1NR1H2PRMT5WDR77
SCHEMBL30207825 0.75 ESR2 (0.54) ESR2MAPK1NR1H2PRMT5WDR77
SCHEMBL16730890 0.75 ESR2 (0.54) ESR2MAPK1NR1H2NAMPTDDB1

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-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B ESR2 520/4885MAPK1 1974/4885NR1H2 354/4885

“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.