SCHEMBL10114664

SCHEMBL10114664

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OC3CCOCC3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
ENPP3 O14638 3/20 0.43
ENPP1 P22413 3/20 0.43
RAB9A P51151 1/20 0.43
ENPP2 Q13822 2/20 0.42
KMT2A Q03164 1/20 0.41
LIPE Q05469 2/20 0.41
HTT P42858 1/20 0.41
STS P08842 1/20 0.41
NAMPT P43490 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACACB O00763 2/20 0.40

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
SCHEMBL13204264 1.00 HRH3 (0.44) HRH3ENPP3ENPP1RAB9AENPP2
SCHEMBL10114960 0.94 ACACB (0.42) HRH3ENPP3ENPP1RAB9AENPP2
SCHEMBL13204445 0.94 ACACB (0.42) HRH3ENPP3ENPP1RAB9AENPP2
SCHEMBL10114618 0.90 ENPP3 (0.51) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL14424355 0.90 ENPP3 (0.51) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL10114920 0.89 ENPP3 (0.53) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL14424383 0.89 ENPP3 (0.53) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL13204455 0.86 ENPP3 (0.42) ENPP3ENPP1ENPP2KMT2AHTT
SCHEMBL10114969 0.86 ENPP3 (0.42) ENPP3ENPP1ENPP2KMT2AHTT
SCHEMBL10114594 0.85 NPY5R (0.48) ENPP3ENPP1RAB9AENPP2KMT2A

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 HRH3 458/4885ENPP3 3225/4885ENPP1 3059/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 421/4885ENPP3 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.