SCHEMBL6115368

SCHEMBL6115368

CC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(C#N)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 17/20 0.68
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL6116011 0.91 NPY2R (0.70) NPY2RMEN1KMT2AKDM4E
SCHEMBL4449739 0.89 NPY2R (0.68) NPY2RALDH1A1MAPTHPGDHSD17B10
SCHEMBL4128647 0.89 NPY2R (0.84) NPY2R
SCHEMBL8737596 0.89 NPY2R (0.63) NPY2RALDH1A1MAPTHPGDHSD17B10
SCHEMBL4135936 0.88 NPY2R (0.73) NPY2R
SCHEMBL8737450 0.88 NPY2R (0.73) NPY2R
SCHEMBL6115391 0.88 NPY2R (0.62) NPY2RALDH1A1MAPTHPGDHSD17B10
SCHEMBL4289549 0.88 NPY2R (0.60) NPY2R
SCHEMBL8737473 0.88 NPY2R (0.61) NPY2RALDH1A1MAPTHPGDHSD17B10
SCHEMBL8737449 0.87 NPY2R (0.60) NPY2RALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
WO-2009079597-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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R NPY2R 1/4885ALDH1A1 4338/4885MAPT 3568/4885

“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.