SCHEMBL6115381

SCHEMBL6115381

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CCOC3)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.57
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
USP30 Q70CQ3 1/20 0.47
ACKR3 P25106 1/20 0.46
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4563571 0.88 MEN1 (0.60) NPY2RMAPTMEN1KMT2APTPN2
SCHEMBL8737920 0.81 NPY2R (0.60) NPY2RMAPTMEN1KMT2ARAB9A
SCHEMBL7846281 0.81 F13A1 (0.53) NPY2RMAPTMEN1KMT2APTPN2
SCHEMBL5421815 0.81 NPY2R (0.55) NPY2RMAPTMEN1KMT2APTPN2
SCHEMBL8250828 0.81 F13A1 (0.53) NPY2RMAPTMEN1KMT2APTPN2
SCHEMBL5803943 0.80 MAPT (0.69) NPY2RMAPTMEN1KMT2ARAB9A
SCHEMBL13532985 0.80 MAPT (0.50) NPY2RMAPTMEN1KMT2APTPN2
SCHEMBL13541856 0.79 NPC1 (0.50) NPY2RMAPTMEN1KMT2APTPN2
SCHEMBL13532987 0.79 SCN9A (0.51) NPY2RMAPTMEN1KMT2APTPN2
SCHEMBL8259530 0.79 NPY2R (0.56) NPY2RMAPTMEN1KMT2APTPN2

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 1 patent. 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

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 1/4885MAPT 3568/4885MEN1 2747/4885

“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.