SCHEMBL166049

SCHEMBL166049

Cc1nc(SCc2cc(N3CCSCC3)cc(NC(=O)OC(C)(C)C)n2)sc1C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 15/20 0.51
SCN9A Q15858 1/20 0.35
KCNH2 Q12809 2/20 0.33
LCK P06239 2/20 0.32
PI4KB Q9UBF8 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
SCHEMBL962875 0.90 NPY1R (0.64) NPY1RKCNH2
SCHEMBL7020361 0.85 NPY1R (0.37) NPY1RSCN9AKCNH2
SCHEMBL163824 0.83 NPY1R (0.60) NPY1RSCN9AKCNH2
SCHEMBL963884 0.83 NPY1R (0.51) NPY1RSCN9AKCNH2LCK
SCHEMBL503981 0.81 KCNQ3 (0.36) NPY1RSCN9AKCNH2LCKPI4KB
SCHEMBL163223 0.81 NPY1R (0.45) NPY1RKCNH2
SCHEMBL7019692 0.77 NPY1R (0.36) NPY1RSCN9AKCNH2
SCHEMBL7012960 0.76 NPY1R (0.46) NPY1RKCNH2
SCHEMBL164674 0.76 NPY1R (0.49) NPY1R
SCHEMBL165710 0.74 NPY1R (0.82) 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 354/4885SCN9A 3772/4885KCNH2 3202/4885

“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.