SCHEMBL10112890

SCHEMBL10112890

CCCCc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
TP53 P04637 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 1/20 0.43
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
DRD2 P14416 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL14418239 1.00 PLK1 (0.50) PLK1TP53TRPV1SLC6A5KDM1A
SCHEMBL31206178 0.86 EPHX1 (0.50) TP53KDM1AMAOBKMT2AL3MBTL1
SCHEMBL31205972 0.82 EPHX1 (0.55) KDM1AMAOBEPHX1EPHX2DRD2
SCHEMBL12864600 0.82 PLK1 (0.57) PLK1TP53TRPV1TSHRKMT2A
SCHEMBL10112894 0.81 SMYD3 (0.57) PLK1TP53TRPV1
SCHEMBL10133700 0.81 SMYD3 (0.57) PLK1TP53TRPV1
SCHEMBL25398746 0.80 HDAC4 (0.53) TP53SLC6A5TSHRKMT2AL3MBTL1
SCHEMBL8341550 0.80 NAMPT (0.55) KMT2AL3MBTL1EPHX1
SCHEMBL10113046 0.80 PLK1 (0.49) PLK1TP53TRPV1SLC6A5TSHR
SCHEMBL10133291 0.80 PLK1 (0.49) PLK1TP53TRPV1SLC6A5TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US 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 (2 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R PLK1 4759/4885TP53 4449/4885TRPV1 774/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PLK1 4747/4885TP53 4417/4885TRPV1 534/4885

“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.