SCHEMBL2996791

SCHEMBL2996791

O=C(c1cnc2ccccc2n1)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.58
ADRB3 P13945 12/20 0.58
ADRB1 P08588 11/20 0.58
ABCB1 P08183 1/20 0.48
PTK2 Q05397 1/20 0.45
DNM1 Q05193 1/20 0.45

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
SCHEMBL2987489 0.85 ADRB3 (0.61) ADRB2ADRB3ADRB1ABCB1DNM1
SCHEMBL2992698 0.82 ADRB3 (0.67) ADRB2ADRB3ADRB1DNM1
SCHEMBL2992258 0.82 ADRB2 (0.60) ADRB2ADRB3ADRB1
SCHEMBL4607479 0.81 PTK2 (0.45) ADRB2ADRB3ADRB1PTK2DNM1
SCHEMBL2988364 0.80 ADRB3 (0.55) ADRB2ADRB3ADRB1DNM1
SCHEMBL2986929 0.80 ADRB2 (0.62) ADRB2ADRB3ADRB1ABCB1
SCHEMBL2994138 0.80 ADRB2 (0.60) ADRB2ADRB3ADRB1DNM1
SCHEMBL13206957 0.80 ADRB2 (0.61) ADRB2ADRB3ADRB1ABCB1DNM1
SCHEMBL2994463 0.79 ADRB3 (0.64) ADRB2ADRB3ADRB1DNM1
SCHEMBL2993200 0.79 ADRB2 (0.57) ADRB2ADRB3ADRB1

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.