SCHEMBL159462

SCHEMBL159462

Cc1nc(SCc2cc(N3CCSCC3)cc(N(Cc3cccc(F)n3)C(=O)OC(C)(C)C)n2)oc1C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 17/20 0.60
KCNH2 Q12809 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL164674 0.79 NPY1R (0.49) NPY1RHTR2CSLC6A4
SCHEMBL159369 0.76 NPY1R (1.00) NPY1R
SCHEMBL163824 0.75 NPY1R (0.60) NPY1RKCNH2
SCHEMBL963593 0.72 NPY1R (0.33) NPY1R
SCHEMBL504416 0.71 NPY1R (0.46) NPY1RHTR2CSLC6A4
SCHEMBL164025 0.70 NPY1R (0.53) NPY1R
SCHEMBL962550 0.70 NPY1R (0.31) NPY1R
SCHEMBL165736 0.69 NPY1R (0.54) NPY1RKCNH2
SCHEMBL504009 0.69 NPY1R (0.45) NPY1R
SCHEMBL163374 0.69 NPY1R (0.48) 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 354/4885KCNH2 3202/4885MAPT 1577/4885

“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.