SCHEMBL167647

SCHEMBL167647

Cc1cccc(CN(C(=O)OC(C)(C)C)c2cc(N3CCOCC3)cc(COC3CCCCO3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
NPY1R P25929 6/20 0.34
AOC3 Q16853 1/20 0.34
USP30 Q70CQ3 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
TGFBR1 P36897 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
PIK3C2B O00750 4/20 0.32
NAPEPLD Q6IQ20 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL7012953 0.87 AOC3 (0.36) HTR2CSLC6A4AOC3USP30NAPEPLD
SCHEMBL503809 0.85 AOC3 (0.35) NPY1RAOC3MAPKAPK2TGFBR1BRD9
SCHEMBL960988 0.84 HTR2C (0.34) HTR2CSLC6A4USP30TGFBR1GPR119
SCHEMBL7016912 0.83 HTR2C (0.35) HTR2CSLC6A4AOC3USP30GPR119
SCHEMBL7015313 0.80 PIK3C2B (0.34) HTR2CSLC6A4PIK3C2BNAPEPLD
SCHEMBL959862 0.79 HTR2C (0.34) HTR2CSLC6A4
SCHEMBL7015714 0.77 USP30 (0.34) HTR2CSLC6A4USP30TGFBR1PIK3C2B
SCHEMBL962329 0.77 HTR2C (0.33) HTR2CSLC6A4
SCHEMBL504009 0.77 NPY1R (0.45) NPY1RAOC3USP30MAPKAPK2
SCHEMBL7012036 0.76 ZAP70 (0.32) HTR2CSLC6A4PIK3C2B

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
EP-2424860-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 US disclosed
WO-2010126163-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 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-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE AR, NR5A1, ARL1 HTR2C 1011/4885SLC6A4 2369/4885NPY1R 354/4885

“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.