SCHEMBL10133700

SCHEMBL10133700

CCCCc1ccc(C(=O)NC2CCC(N)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 12/20 0.57
PLK1 P53350 1/20 0.56
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
TP53 P04637 1/20 0.49
F2 P00734 1/20 0.49

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
SCHEMBL10112894 1.00 SMYD3 (0.57) SMYD3PLK1PRSS1PRSS2PRSS3
SCHEMBL12864600 0.88 PLK1 (0.57) PLK1TRPV1TP53
SCHEMBL21489911 0.86 SMYD3 (0.71) SMYD3PLK1PRSS1PRSS2PRSS3
SCHEMBL19701228 0.86 SMYD3 (0.71) SMYD3PLK1PRSS1PRSS2PRSS3
SCHEMBL8337991 0.84 PLK1 (0.62) SMYD3PLK1
SCHEMBL14418239 0.81 PLK1 (0.50) PLK1TRPV1TP53
SCHEMBL10112890 0.81 PLK1 (0.50) PLK1TRPV1TP53
SCHEMBL10133291 0.80 PLK1 (0.49) PLK1TRPV1TP53
SCHEMBL10113909 0.80 PLK1 (0.49) PLK1TRPV1TP53
SCHEMBL10113046 0.80 PLK1 (0.49) PLK1TRPV1TP53

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 6 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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMYD3 3274/4885PLK1 4747/4885PRSS1 1128/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMYD3 3557/4885PLK1 4755/4885PRSS1 1474/4885

“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.