SCHEMBL164025

SCHEMBL164025

Cc1cccc(CN(C(=O)OC(C)(C)C)c2cc(N3CCOCC3)cc(CSc3nc(CO)c(C)s3)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 16/20 0.53
MAPKAPK2 P49137 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
AOC3 Q16853 1/20 0.32
STK17B O94768 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
SCHEMBL165736 0.93 NPY1R (0.54) NPY1RMAPKAPK2AOC3
SCHEMBL504009 0.91 NPY1R (0.45) NPY1RMAPKAPK2AOC3
SCHEMBL163374 0.89 NPY1R (0.48) NPY1R
SCHEMBL164055 0.86 NPY1R (0.48) NPY1R
SCHEMBL164674 0.84 NPY1R (0.49) NPY1R
SCHEMBL176185 0.83 NPY1R (0.43) NPY1R
SCHEMBL504416 0.81 NPY1R (0.46) NPY1R
SCHEMBL503809 0.79 AOC3 (0.35) NPY1RMAPKAPK2BRD9BAZ2BAOC3
SCHEMBL167647 0.76 HTR2C (0.35) NPY1RMAPKAPK2BRD9BAZ2BAOC3
SCHEMBL7012282 0.75 HTR2C (0.38) NPY1R

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 NPY1R 354/4885MAPKAPK2 2901/4885BRD9 454/4885

“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.