SCHEMBL355620

SCHEMBL355620

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NPY2R P49146 2/20 0.44
GPR119 Q8TDV5 1/20 0.41
PIK3CA P42336 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
HDAC4 P56524 1/20 0.41
TBK1 Q9UHD2 1/20 0.40
PARP1 P09874 1/20 0.40
SMPD3 Q9NY59 1/20 0.40
SCD5 Q86SK9 1/20 0.40
BACE1 P56817 5/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 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

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) POLBNPY2RGPR119PIK3CAHDAC4
SCHEMBL354591 0.85 NPY2R (0.46) POLBNPY2RGPR119PIK3CAHDAC4
SCHEMBL355952 0.82 POLB (0.49) POLBNPY2RMAPTHTT
SCHEMBL18587672 0.75 BACE1 (0.55) GPR119JAK2JAK1PARP1BACE1
SCHEMBL354726 0.75 GPR119 (0.56) NPY2RGPR119PIK3CAJAK2JAK1
SCHEMBL354865 0.74 GPR119 (0.55) NPY2RGPR119PIK3CAJAK2JAK1
SCHEMBL7502660 0.73 MEN1 (0.52) POLBGPR119PARP1SMARCA2SMARCA4
SCHEMBL18621714 0.73 SMARCA2 (0.46) POLBGPR119PARP1BACE1SMARCA2
SCHEMBL4513470 0.73 GPR119 (0.48) GPR119JAK2NPC1ALDH1A1MAPT
SCHEMBL355103 0.72 GPR119 (0.54) NPY2RGPR119PIK3CAJAK2JAK1

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.