SCHEMBL2993358

SCHEMBL2993358

COc1cc(OC)c(CN2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.65
ADRB1 P08588 12/20 0.65
ADRB3 P13945 11/20 0.65
DRD2 P14416 4/20 0.52
DNM1 Q05193 2/20 0.52
NR1I2 O75469 2/20 0.52
HTR1A P08908 2/20 0.52
ADRA2A P08913 2/20 0.52
MAPT P10636 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
DRD1 P21728 2/20 0.52
SLC6A2 P23975 2/20 0.52
HRH2 P25021 2/20 0.52
ADRA1D P25100 2/20 0.52
HTR2A P28223 2/20 0.52
MAPK1 P28482 2/20 0.52
SLC6A4 P31645 2/20 0.52
ADRA1A P35348 2/20 0.52
OPRM1 P35372 2/20 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
SCHEMBL2994599 0.90 ADRB2 (0.68) ADRB2ADRB1ADRB3DRD2DNM1
SCHEMBL16550136 0.83 MAPT (0.71) ADRB2ADRB1ADRB3DRD2NR1I2
SCHEMBL4607708 0.83 BCHE (0.46) ADRB2ADRB1ADRB3DRD2DNM1
SCHEMBL2999951 0.83 ADRB2 (0.75) ADRB2ADRB1ADRB3DNM1TLR4
SCHEMBL2992569 0.81 ADRB3 (0.72) ADRB2ADRB1ADRB3DNM1TLR4
SCHEMBL1351463 0.80 ADRB3 (0.73) ADRB2ADRB1ADRB3MAPK1KMT2A
SCHEMBL2983180 0.80 ADRB2 (0.65) ADRB2ADRB1ADRB3DRD2DNM1
SCHEMBL2995969 0.80 ADRB2 (0.60) ADRB2ADRB1ADRB3DRD2DNM1
SCHEMBL2990896 0.79 ADRB3 (0.70) ADRB2ADRB1ADRB3DNM1TLR4
SCHEMBL3000457 0.79 ADRB1 (0.71) ADRB2ADRB1ADRB3DNM1MAPT

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

“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.