SCHEMBL354726

SCHEMBL354726

Cc1noc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Br)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.56
TBK1 Q9UHD2 3/20 0.49
IKBKE Q14164 1/20 0.49
TP53 P04637 1/20 0.45
HDAC4 P56524 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
SCD5 Q86SK9 1/20 0.43
BACE1 P56817 2/20 0.43
SMPD3 Q9NY59 1/20 0.43
PKM P14618 1/20 0.43
NPY2R P49146 1/20 0.43
PIK3CA P42336 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
RET P07949 1/20 0.42

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
SCHEMBL354865 0.89 GPR119 (0.55) GPR119TBK1IKBKETP53HDAC4
SCHEMBL355103 0.87 GPR119 (0.54) GPR119TBK1IKBKETP53HDAC4
SCHEMBL4928914 0.77 HDAC4 (0.48) GPR119HDAC4SCD5BACE1CKS1B
SCHEMBL25574615 0.77 ESR2 (0.58) GPR119TBK1IKBKETP53HDAC4
SCHEMBL27141490 0.75 MEN1 (0.54) BACE1
SCHEMBL5914044 0.75 MAPT (0.48) TP53BACE1
SCHEMBL355620 0.75 POLB (0.45) GPR119TBK1HDAC4JAK2JAK1
SCHEMBL355729 0.75 POLB (0.47) GPR119TBK1IKBKEHDAC4SCD5
SCHEMBL354591 0.75 NPY2R (0.46) GPR119TBK1IKBKEHDAC4SCD5
SCHEMBL18121687 0.74 GPR119 (0.58) GPR119TBK1IKBKEJAK2JAK1

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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R GPR119 58/4885TBK1 3841/4885IKBKE 2572/4885

“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.