SCHEMBL2990928

SCHEMBL2990928

O=C(Cc1cccnc1)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.71
ADRB2 P07550 11/20 0.71
ADRB1 P08588 11/20 0.71
ABCB1 P08183 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DNM1 Q05193 1/20 0.44

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 0.86 ADRB3 (0.67) ADRB3ADRB2ADRB1ABCB1DNM1
SCHEMBL2991230 0.84 ADRB3 (0.58) ADRB3ADRB2ADRB1DNM1
SCHEMBL3000457 0.84 ADRB1 (0.71) ADRB3ADRB2ADRB1ABCB1DNM1
SCHEMBL2987489 0.83 ADRB3 (0.61) ADRB3ADRB2ADRB1ABCB1DNM1
SCHEMBL2991106 0.83 ADRB3 (0.62) ADRB3ADRB2ADRB1DNM1
SCHEMBL2994463 0.82 ADRB3 (0.64) ADRB3ADRB2ADRB1DNM1
SCHEMBL2987359 0.82 ADRB3 (0.57) ADRB3ADRB2ADRB1ALDH1A1DNM1
SCHEMBL4608603 0.82 ADRB3 (0.49) ADRB3ADRB2ADRB1KDM4EALDH1A1
SCHEMBL2992698 0.81 ADRB3 (0.67) ADRB3ADRB2ADRB1DNM1
SCHEMBL2986929 0.79 ADRB2 (0.62) ADRB3ADRB2ADRB1ABCB1

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 11 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
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
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.