SCHEMBL2997922

SCHEMBL2997922

COc1ccc(C(=O)N2CCC(NCC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.73
ADRB1 P08588 5/20 0.64
ADRB2 P07550 7/20 0.54
DRD2 P14416 3/20 0.54
MAPT P10636 2/20 0.54
DNM1 Q05193 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TLR4 O00206 1/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
KCNK2 O95069 1/20 0.54
ABCB11 O95342 1/20 0.54
APP P05067 1/20 0.54
ABCB1 P08183 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL6074805 0.86 ADRB3 (0.65) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL2992193 0.86 ADRB3 (0.57) ADRB3ADRB1ADRB2DNM1TLR4
SCHEMBL5257329 0.85 ADRB3 (0.66) ADRB3ADRB1ADRB2MAPTDNM1
SCHEMBL6983825 0.84 ADRB3 (1.00) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL2983180 0.84 ADRB2 (0.65) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL2999158 0.83 ADRB3 (0.60) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL13206974 0.82 ADRB3 (0.57) ADRB3ADRB1ADRB2DNM1TLR4
SCHEMBL8263806 0.82 ADRB3 (0.65) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL4902486 0.82 ADRB3 (0.65) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL4899642 0.82 ADRB3 (0.65) ADRB3ADRB1ADRB2DRD2MAPT

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 ADRB3 3238/4885ADRB1 3273/4885ADRB2 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.