SCHEMBL2983180

SCHEMBL2983180

COc1ccc(C(=O)N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.65
ADRB3 P13945 12/20 0.65
ADRB1 P08588 11/20 0.65
DRD2 P14416 3/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TLR4 O00206 1/20 0.51
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
KCNK2 O95069 1/20 0.51
ABCB11 O95342 1/20 0.51
APP P05067 1/20 0.51
ABCB1 P08183 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL2997062 0.85 ADRB2 (0.59) ADRB2ADRB3ADRB1KMT2AMEN1
SCHEMBL2992698 0.84 ADRB3 (0.67) ADRB2ADRB3ADRB1DNM1
SCHEMBL2997922 0.84 ADRB3 (0.73) ADRB2ADRB3ADRB1DRD2MAPT
SCHEMBL2992258 0.82 ADRB2 (0.60) ADRB2ADRB3ADRB1DRD2DRD3
SCHEMBL4605749 0.82 TLR9 (0.49) ADRB2ADRB3ADRB1MAPTKDM4E
SCHEMBL2988158 0.81 ADRB2 (0.61) ADRB2ADRB3ADRB1HTR1A
SCHEMBL16550136 0.81 MAPT (0.71) ADRB2ADRB3ADRB1DRD2MAPT
SCHEMBL2986929 0.81 ADRB2 (0.62) ADRB2ADRB3ADRB1MAPTKMT2A
SCHEMBL2994138 0.81 ADRB2 (0.60) ADRB2ADRB3ADRB1DNM1
SCHEMBL13206957 0.81 ADRB2 (0.61) ADRB2ADRB3ADRB1MAPTABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US claimed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
EP-1945612-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS Orchid Research Laboratories Limited (IN) 2008-07-23 EP disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 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-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors IL6, IL6ST, STAT3 ADRB2 4160/4885ADRB3 3238/4885ADRB1 3273/4885

“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.