SCHEMBL10114960

SCHEMBL10114960

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OC3CCOC3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.42
ENPP3 O14638 4/20 0.42
ENPP1 P22413 4/20 0.42
ENPP2 Q13822 3/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
STS P08842 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL13204445 1.00 ACACB (0.42) ACACBENPP3ENPP1ENPP2KMT2A
SCHEMBL13204264 0.94 HRH3 (0.44) ACACBENPP3ENPP1ENPP2KMT2A
SCHEMBL10114664 0.94 HRH3 (0.44) ACACBENPP3ENPP1ENPP2KMT2A
SCHEMBL10114618 0.86 ENPP3 (0.51) ACACBENPP3ENPP1ENPP2STS
SCHEMBL14424355 0.86 ENPP3 (0.51) ACACBENPP3ENPP1ENPP2STS
SCHEMBL10114590 0.86 NPY5R (0.46) ACACBENPP3ENPP1ENPP2KMT2A
SCHEMBL14424356 0.86 NPY5R (0.46) ACACBENPP3ENPP1ENPP2KMT2A
SCHEMBL10114920 0.85 ENPP3 (0.53) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL14424383 0.85 ENPP3 (0.53) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL10116152 0.84 NAMPT (0.49) ACACBRAB9ANAMPTHRH3

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 7 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-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-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 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 ACACB 3070/4885ENPP3 3225/4885ENPP1 3059/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ACACB 3095/4885ENPP3 3416/4885ENPP1 3327/4885

“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.