SCHEMBL959862

SCHEMBL959862

CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(N2CCCCCC2)cc(COC2CCCCO2)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.34
SLC6A4 P31645 3/20 0.34
PLK1 P53350 1/20 0.31
KAT7 O95251 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL960988 0.94 HTR2C (0.34) HTR2CSLC6A4PLK1
SCHEMBL962329 0.93 HTR2C (0.33) HTR2CSLC6A4
SCHEMBL964490 0.92 HTR2C (0.33) HTR2CSLC6A4
SCHEMBL1006155 0.92 HTR2C (0.33) HTR2CSLC6A4PLK1
SCHEMBL1006156 0.92 HTR2C (0.33) HTR2CSLC6A4PLK1
SCHEMBL962245 0.82 HTR2C (0.33) HTR2CSLC6A4
SCHEMBL167647 0.79 HTR2C (0.35) HTR2CSLC6A4
SCHEMBL7012953 0.78 AOC3 (0.36) HTR2CSLC6A4
SCHEMBL962706 0.77 OPRM1 (0.35) L3MBTL1
SCHEMBL7016912 0.77 HTR2C (0.35) HTR2CSLC6A4

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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP 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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R HTR2C 254/4885SLC6A4 478/4885PLK1 4580/4885

“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.