SCHEMBL356507

SCHEMBL356507

CCN(CC)C(=O)C(Br)c1cc(F)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
MC4R P32245 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
F2R P25116 1/20 0.34
NPY2R P49146 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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 0.76 HPGD (0.48) HPGDSMN1; SMN2LMNARAB9APKM
SCHEMBL355557 0.75 OPRM1 (0.46) SMN1; SMN2NPY2RMEN1KMT2A
SCHEMBL5077951 0.70 CES2 (0.44) HPGDMC4RSMN1; SMN2LMNARAB9A
SCHEMBL14631806 0.70 ALDH1A1 (0.42) HPGDSMN1; SMN2LMNARAB9APKM
SCHEMBL2477020 0.69 PDE2A (0.44) LMNARAB9APKMNPC1F2R
SCHEMBL27634469 0.69 CES2 (0.38) PKMF2R
SCHEMBL25141574 0.69 HPGD (0.47) HPGDSMN1; SMN2LMNARAB9APKM
SCHEMBL30192825 0.68 PKM (0.39) HPGDLMNAPKMMEN1MAPT
SCHEMBL24876443 0.68 PKM (0.39) HPGDLMNAPKMMEN1MAPT
SCHEMBL27899325 0.68 PSEN1 (0.34) PKMMEN1KMT2A

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 HPGD 756/4885MC4R 56/4885SMN1; SMN2 3631/4885

“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.