SCHEMBL355575

SCHEMBL355575

CCC(C)c1nc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.56
NPY2R P49146 7/20 0.52
HDAC4 P56524 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CA P42336 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL354648 0.85 NPY2R (0.58) GPR119NPY2RHDAC4L3MBTL1MAPT
SCHEMBL8221031 0.84 GPR119 (0.56) GPR119NPY2RHDAC4L3MBTL1MAPT
SCHEMBL355505 0.83 HDAC4 (0.51) GPR119NPY2RHDAC4L3MBTL1MAPT
SCHEMBL355493 0.82 HTT (0.52) GPR119NPY2RHDAC4L3MBTL1MAPT
SCHEMBL17115033 0.77 HDAC4 (0.54) GPR119HDAC4MAPTHDAC6HDAC1
SCHEMBL4095088 0.77 GPR119 (0.58) GPR119HDAC4HDAC6HDAC1HDAC8
SCHEMBL4096906 0.76 GPR119 (0.76) GPR119HDAC4
SCHEMBL354865 0.76 GPR119 (0.55) GPR119NPY2RHDAC4L3MBTL1MAPT
SCHEMBL354719 0.76 NPY2R (0.88) NPY2R
SCHEMBL10168910 0.76 NPY2R (0.88) NPY2R

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 58/4885NPY2R 1/4885HDAC4 2569/4885

“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.