SCHEMBL354591

SCHEMBL354591

CC(C)c1noc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(CO)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.46
POLB P06746 1/20 0.45
SCD5 Q86SK9 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
HDAC4 P56524 1/20 0.41
TBK1 Q9UHD2 2/20 0.40
SUV39H2 Q9H5I1 3/20 0.39
IKBKE Q14164 1/20 0.39
PIK3CA P42336 2/20 0.39
BACE1 P56817 2/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
SMPD3 Q9NY59 1/20 0.38

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
SCHEMBL355729 0.85 POLB (0.47) NPY2RPOLBSCD5GPR119HDAC4
SCHEMBL355620 0.85 POLB (0.45) NPY2RPOLBSCD5GPR119HDAC4
SCHEMBL354726 0.75 GPR119 (0.56) NPY2RSCD5GPR119HDAC4TBK1
SCHEMBL4513470 0.74 GPR119 (0.48) GPR119
SCHEMBL355103 0.74 GPR119 (0.54) NPY2RGPR119HDAC4TBK1IKBKE
SCHEMBL357253 0.74 NPY2R (0.81) NPY2R
SCHEMBL354865 0.74 GPR119 (0.55) NPY2RSCD5GPR119HDAC4TBK1
SCHEMBL23533044 0.73 MAPT (0.49) GPR119SUV39H2BACE1
SCHEMBL16166510 0.73 NR1H2 (0.51) GPR119SUV39H2PIK3CABACE1
SCHEMBL28696198 0.71 GPR119 (0.52) POLBGPR119

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 NPY2R 1/4885POLB 4536/4885SCD5 3205/4885

“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.