SCHEMBL10114969

SCHEMBL10114969

CC1CC(Oc2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.42
ENPP1 P22413 6/20 0.42
ENPP2 Q13822 4/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
STS P08842 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
ELOVL6 Q9H5J4 1/20 0.38

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
SCHEMBL13204455 1.00 ENPP3 (0.42) ENPP3ENPP1ENPP2KMT2AHTT
SCHEMBL14424355 0.86 ENPP3 (0.51) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL10114618 0.86 ENPP3 (0.51) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL13204264 0.86 HRH3 (0.44) ENPP3ENPP1ENPP2KMT2AHTT
SCHEMBL10114664 0.86 HRH3 (0.44) ENPP3ENPP1ENPP2KMT2AHTT
SCHEMBL14424383 0.85 ENPP3 (0.53) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL10114920 0.85 ENPP3 (0.53) ENPP3ENPP1ENPP2STSNPSR1
SCHEMBL10116177 0.84 NAMPT (0.45) KMT2ANAMPT
SCHEMBL10114960 0.84 ACACB (0.42) ENPP3ENPP1ENPP2KMT2AHTT
SCHEMBL13204445 0.84 ACACB (0.42) ENPP3ENPP1ENPP2KMT2AHTT

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-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-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 ENPP3 3225/4885ENPP1 3059/4885ENPP2 459/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ENPP3 3416/4885ENPP1 3327/4885ENPP2 547/4885

“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.