SCHEMBL355729

SCHEMBL355729

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
NPY2R P49146 2/20 0.44
GPR119 Q8TDV5 3/20 0.43
TBK1 Q9UHD2 3/20 0.42
HDAC4 P56524 1/20 0.41
PIK3CA P42336 2/20 0.41
SCD5 Q86SK9 1/20 0.40
USP30 Q70CQ3 2/20 0.40
IKBKE Q14164 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BACE1 P56817 2/20 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
SCHEMBL355620 0.85 POLB (0.45) POLBNPY2RGPR119TBK1HDAC4
SCHEMBL354591 0.85 NPY2R (0.46) POLBNPY2RGPR119TBK1HDAC4
SCHEMBL3686477 0.76 GPR119 (0.45) GPR119PIK3CACKS1BSKP1SKP2
SCHEMBL29964224 0.75 BACE1 (0.53) GPR119USP30ALDH1A1MAPTBACE1
SCHEMBL3691360 0.75 BACE1 (0.53) GPR119USP30ALDH1A1MAPTBACE1
SCHEMBL354726 0.75 GPR119 (0.56) NPY2RGPR119TBK1HDAC4PIK3CA
SCHEMBL4513470 0.74 GPR119 (0.48) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL6492674 0.74 GPR119 (0.52) GPR119ALDH1A1MAPT
SCHEMBL5913105 0.74 SMN1; SMN2 (0.48) GPR119ALDH1A1MAPT
SCHEMBL31618922 0.74 SMN1; SMN2 (0.48) GPR119ALDH1A1MAPT

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 POLB 4536/4885NPY2R 1/4885GPR119 58/4885

“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.