SCHEMBL355493

SCHEMBL355493

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 2/20 0.48
HDAC4 P56524 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GPR119 Q8TDV5 2/20 0.46
NPY2R P49146 5/20 0.46
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL8221449 0.93 HTT (0.52) HTTL3MBTL1MAPTLMNANPC1
SCHEMBL8221031 0.86 GPR119 (0.56) L3MBTL1MAPTLMNAHDAC4GPR119
SCHEMBL354648 0.85 NPY2R (0.58) HTTL3MBTL1MAPTLMNAMEN1
SCHEMBL355575 0.82 GPR119 (0.56) L3MBTL1MAPTLMNANPC1MEN1
SCHEMBL355505 0.81 HDAC4 (0.51) L3MBTL1MAPTHDAC4GPR119NPY2R
SCHEMBL354865 0.78 GPR119 (0.55) L3MBTL1MAPTMEN1KMT2AHDAC4
SCHEMBL17115033 0.77 HDAC4 (0.54) HTTMAPTLMNANPC1MEN1
SCHEMBL8226671 0.76 GPR119 (0.52) HTTMAPTLMNAMAPK1HDAC4
SCHEMBL356667 0.76 L3MBTL1 (0.43) L3MBTL1MAPTLMNANPC1MEN1
SCHEMBL8226263 0.76 HDAC4 (0.56) MAPTLMNAHDAC4ALDH1A1GPR119

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 HTT 2381/4885L3MBTL1 4722/4885MAPT 3596/4885

“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.