SCHEMBL4880864

SCHEMBL4880864

COC(=O)C1(c2ccccc2)CCN(c2ccccc2OC)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.51
DRD4 P21917 1/20 0.51
HTR1A P08908 5/20 0.51
ADRA1D P25100 4/20 0.51
ADRA1A P35348 4/20 0.51
ADRA1B P35368 4/20 0.51
HSD11B1 P28845 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
SOAT1 P35610 1/20 0.49

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
SCHEMBL4874783 0.90 DRD2 (0.53) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL4878061 0.88 SOAT1 (0.58) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL4881137 0.85 CA12 (0.49) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL4881130 0.84 DRD2 (0.49) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL4880752 0.84 SOAT1 (0.54) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL4873768 0.80 SOAT1 (0.55) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL14534189 0.80 OPRM1 (0.71) ADRA1DADRA1AADRA1BHSD11B1
SCHEMBL349195 0.79 MEN1 (0.56) ADRA1AHSD11B1MEN1KMT2A
SCHEMBL973774 0.79 HSD11B1 (0.56) ADRA1DADRA1AADRA1BHSD11B1MEN1
SCHEMBL5477019 0.78 SOAT1 (0.54) DRD2DRD4HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 DRD2 715/4885DRD3 482/4885DRD4 191/4885

“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.