SCHEMBL2994599

SCHEMBL2994599

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.68
ADRB3 P13945 13/20 0.68
ADRB1 P08588 12/20 0.68
DNM1 Q05193 2/20 0.51
DRD2 P14416 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TLR4 O00206 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
KCNK2 O95069 1/20 0.50
ABCB11 O95342 1/20 0.50
APP P05067 1/20 0.50
ABCB1 P08183 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL2993358 0.90 ADRB2 (0.65) ADRB2ADRB3ADRB1DNM1DRD2
SCHEMBL2999951 0.87 ADRB2 (0.75) ADRB2ADRB3ADRB1DNM1TLR4
SCHEMBL2998028 0.83 ADRB2 (0.61) ADRB2ADRB3ADRB1DNM1ABCB1
SCHEMBL2997640 0.83 ADRB3 (0.61) ADRB2ADRB3ADRB1DNM1
SCHEMBL4606756 0.83 ADRB3 (0.47) ADRB2ADRB3ADRB1DNM1MAPK1
SCHEMBL16550136 0.82 MAPT (0.71) ADRB2ADRB3ADRB1DRD2KDM4E
SCHEMBL2992569 0.82 ADRB3 (0.72) ADRB2ADRB3ADRB1DNM1TLR4
SCHEMBL3000457 0.81 ADRB1 (0.71) ADRB2ADRB3ADRB1DNM1ABCB1
SCHEMBL2997254 0.81 MEN1 (0.64) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL1351463 0.80 ADRB3 (0.73) ADRB2ADRB3ADRB1MAPK1KMT2A

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 8 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
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 4160/4885ADRB3 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.