SCHEMBL3000457

SCHEMBL3000457

COc1ccc(CC(=O)N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.71
ADRB3 P13945 10/20 0.71
ADRB2 P07550 10/20 0.71
DRD4 P21917 1/20 0.51
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
DNM1 Q05193 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL2993325 0.91 ADRB3 (0.67) ADRB1ADRB3ADRB2DRD4DNM1
SCHEMBL2991230 0.85 ADRB3 (0.58) ADRB1ADRB3ADRB2DNM1
SCHEMBL2990500 0.85 ADRB3 (0.72) ADRB1ADRB3ADRB2DRD4MAPT
SCHEMBL2987359 0.84 ADRB3 (0.57) ADRB1ADRB3ADRB2MAPTSMN1; SMN2
SCHEMBL2990928 0.84 ADRB3 (0.71) ADRB1ADRB3ADRB2DNM1ABCB1
SCHEMBL2992698 0.84 ADRB3 (0.67) ADRB1ADRB3ADRB2POLBDNM1
SCHEMBL2991106 0.83 ADRB3 (0.62) ADRB1ADRB3ADRB2DNM1
SCHEMBL2994463 0.83 ADRB3 (0.64) ADRB1ADRB3ADRB2DNM1
SCHEMBL4608053 0.82 MAPT (0.50) ADRB1ADRB3ADRB2POLBMAPT
SCHEMBL1351463 0.82 ADRB3 (0.73) ADRB1ADRB3ADRB2

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
EP-1945612-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS Orchid Research Laboratories Limited (IN) 2008-07-23 EP claimed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US claimed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO 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
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

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 ADRB1 3273/4885ADRB3 3238/4885ADRB2 4160/4885

“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.