SCHEMBL2997240

SCHEMBL2997240

O=[N+]([O-])c1ccc(CN2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.56
ADRB2 P07550 11/20 0.56
ADRB1 P08588 10/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
DNM1 Q05193 1/20 0.45
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43

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
SCHEMBL2990481 0.83 ADRB3 (0.56) ADRB3ADRB2ADRB1L3MBTL1DNM1
SCHEMBL2999951 0.80 ADRB2 (0.75) ADRB3ADRB2ADRB1DNM1
SCHEMBL2990896 0.79 ADRB3 (0.70) ADRB3ADRB2ADRB1DNM1
SCHEMBL2992569 0.78 ADRB3 (0.72) ADRB3ADRB2ADRB1DNM1
SCHEMBL3000200 0.78 ADRB3 (0.55) ADRB3ADRB2ADRB1L3MBTL1DNM1
SCHEMBL2992698 0.76 ADRB3 (0.67) ADRB3ADRB2ADRB1L3MBTL1DNM1
SCHEMBL2989278 0.76 ADRB3 (0.59) ADRB3ADRB2ADRB1DNM1
SCHEMBL16550133 0.76 MAPT (0.69) ADRB3ADRB2ADRB1DNM1MAPT
SCHEMBL2988364 0.76 ADRB3 (0.55) ADRB3ADRB2ADRB1L3MBTL1DNM1
SCHEMBL2983464 0.75 ADRB3 (0.74) ADRB3ADRB2ADRB1DNM1

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 3238/4885ADRB2 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.