SCHEMBL2989296

SCHEMBL2989296

O=C(CN1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.65
ADRB2 P07550 11/20 0.65
ADRB1 P08588 11/20 0.65
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN5A Q14524 1/20 0.54
LMNA P02545 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TLR4 O00206 1/20 0.52

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
SCHEMBL2998292 0.84 ADRB2 (0.55) ADRB3ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL2997321 0.83 ADRB2 (0.54) ADRB3ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL2992569 0.82 ADRB3 (0.72) ADRB3ADRB2ADRB1TLR4DNM1
SCHEMBL2992698 0.82 ADRB3 (0.67) ADRB3ADRB2ADRB1DNM1
SCHEMBL16550133 0.81 MAPT (0.69) ADRB3ADRB2ADRB1DNM1
SCHEMBL2999951 0.81 ADRB2 (0.75) ADRB3ADRB2ADRB1TLR4DNM1
SCHEMBL2983181 0.81 ADRB2 (0.53) ADRB3ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL2991037 0.81 ADRB2 (0.52) ADRB3ADRB2ADRB1CYP3A4CYP2D6
SCHEMBL7291659 0.80 CYP2D6 (0.76) ADRB2ADRB1CYP3A4CYP2D6TSHR
SCHEMBL2990896 0.80 ADRB3 (0.70) ADRB3ADRB2ADRB1TLR4DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US claimed
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
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 ADRB3 3238/4885ADRB2 4160/4885ADRB1 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.