SCHEMBL18149684

SCHEMBL18149684

Cc1nc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncc1Br

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.54
MAP4K4 O95819 1/20 0.49
HDAC1 Q13547 1/20 0.45
CHRM4 P08173 1/20 0.42
PIK3CD O00329 5/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
MAPT P10636 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
PIK3R1 P27986 1/20 0.38
NR1H2 P55055 1/20 0.38
PTPN11 Q06124 1/20 0.37

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
SCHEMBL18149683 1.00 GPR119 (0.54) GPR119MAP4K4HDAC1CHRM4PIK3CD
SCHEMBL31181001 0.88 GPR119 (0.55) GPR119MAP4K4HDAC1PIK3CDSUV39H2
SCHEMBL4584304 0.87 GPR119 (0.52) GPR119MAP4K4HDAC1CHRM4PIK3CD
SCHEMBL4584302 0.87 GPR119 (0.52) GPR119MAP4K4HDAC1CHRM4PIK3CD
SCHEMBL1448125 0.85 GPR119 (0.61) GPR119MAP4K4HDAC1SUV39H2MAPT
SCHEMBL12740848 0.85 GPR119 (0.61) GPR119MAP4K4HDAC1SUV39H2MAPT
SCHEMBL1448124 0.85 GPR119 (0.61) GPR119MAP4K4HDAC1SUV39H2MAPT
SCHEMBL23560775 0.84 GPR119 (0.62) GPR119MAP4K4HDAC1SUV39H2MAPT
SCHEMBL1448169 0.82 GPR119 (0.65) GPR119MAP4K4HDAC1SUV39H2MAPT
SCHEMBL12740835 0.82 GPR119 (0.65) GPR119MAP4K4HDAC1SUV39H2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A GPR119 976/4885MAP4K4 170/4885HDAC1 1884/4885

“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.