SCHEMBL355557

SCHEMBL355557

CCN(CC)C(=O)C(Br)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
OPRD1 P41143 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPY2R P49146 1/20 0.42
OPRL1 P41146 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CNR2 P34972 1/20 0.40
TSPO P30536 1/20 0.39

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
SCHEMBL357630 0.81 HPGD (0.48) OPRD1MEN1KMT2ASMN1; SMN2NPY2R
SCHEMBL353571 0.80 SMN1; SMN2 (0.57) OPRD1CES2CES1MEN1KMT2A
SCHEMBL5077951 0.80 CES2 (0.44) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL2483684 0.77 LMNA (0.45) CES2CES1MEN1KMT2AHDAC4
SCHEMBL13240785 0.77 LMNA (0.45) CES2CES1MEN1KMT2AHDAC4
SCHEMBL9298252 0.77 HDAC4 (0.53) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL4390797 0.77 HDAC4 (0.53) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL29530737 0.77 HDAC4 (0.53) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL5685200 0.76 HPGD (0.57) OPRM1OPRD1CES2CES1MEN1
SCHEMBL356507 0.75 HPGD (0.37) MEN1KMT2ASMN1; SMN2NPY2R

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 2 patents. 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
WO-2009079593-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO 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 OPRM1 257/4885OPRD1 251/4885CES2 4029/4885

“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.