SCHEMBL7603598

SCHEMBL7603598

COC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 4/20 0.55
MAPT P10636 8/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
AHR P35869 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL12157835 0.87 NPY2R (0.72) NPY2RMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5131436 0.84 NPY2R (0.77) NPY2RMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12158051 0.83 NPY2R (0.64) NPY2RMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5083866 0.82 NPY2R (0.55) NPY2RMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12158049 0.82 NPY2R (0.63) NPY2RMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12157618 0.81 NPY2R (0.62) NPY2RMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2588751 0.81 NPY2R (0.61) NPY2RSMN1; SMN2GAA
SCHEMBL5077989 0.80 NPY2R (0.58) NPY2RMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13084991 0.80 NPY2R (0.60) NPY2RSMN1; SMN2GAA
SCHEMBL12157622 0.80 NPY2R (0.49) NPY2RMAPTRAB9ASMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R NPY2R 1/4885MAPT 4559/4885RAB9A 4269/4885

“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.