SCHEMBL5080993

SCHEMBL5080993

COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.68
MAPT P10636 6/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
RAB9A P51151 2/20 0.52
ABCB1 P08183 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.48
NR4A1 P22736 1/20 0.48
HTT P42858 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL5084490 0.90 NPY2R (0.74) NPY2RMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5079992 0.88 NPY2R (0.71) NPY2RMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5081598 0.88 NPY2R (0.68) NPY2RMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5083788 0.87 NPY2R (0.70) NPY2RMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5080912 0.85 NPY2R (0.71) NPY2RMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5084525 0.84 NPY2R (0.74) NPY2RMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5080923 0.82 NPY2R (0.74) NPY2RMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5079928 0.81 NPY2R (1.00) NPY2RMAPTNPC1SMN1; SMN2MEN1
SCHEMBL7600687 0.81 NPY2R (0.77) NPY2RMAPTNPC1SMN1; SMN2MEN1
SCHEMBL14590786 0.81 ALDH1A1 (0.69) NPY2RMAPTMEN1KMT2AALDH1A1

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 13 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 claimed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP claimed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
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-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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
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 4559/4885NPC1 3192/4885

“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.