SCHEMBL10133338

SCHEMBL10133338

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2c3ccccc3nc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
GLA P06280 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
POLB P06746 2/20 0.41
CCR8 P51685 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
JAK1 P23458 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
SCHEMBL14424735 1.00 NPY5R (0.53) NPY5REPHX1SMN1; SMN2GLAKDM4E
SCHEMBL13203775 0.87 NPY5R (0.52) NPY5RSMN1; SMN2GLAGAAHPGD
SCHEMBL13222420 0.87 NPY5R (0.52) NPY5RSMN1; SMN2GLAGAAHPGD
SCHEMBL10114034 0.84 EPHX1 (0.46) EPHX1SMN1; SMN2GLAKDM4EGAA
SCHEMBL10133717 0.84 NPY5R (0.49) NPY5RSMN1; SMN2KDM4ECCR8KMT2A
SCHEMBL13203795 0.84 NPY5R (0.49) NPY5RSMN1; SMN2KDM4ECCR8KMT2A
SCHEMBL10133376 0.82 GLA (0.62) NPY5RSMN1; SMN2GLAKDM4EGAA
SCHEMBL10114293 0.82 GLA (0.62) NPY5RSMN1; SMN2GLAKDM4EGAA
SCHEMBL13204244 0.80 CYP1A2 (0.56) NPY5RSMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL10114641 0.80 CYP1A2 (0.56) NPY5RSMN1; SMN2KDM4EGAAALDH1A1

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-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 NPY5R 1/4885EPHX1 3910/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885EPHX1 3699/4885SMN1; SMN2 2251/4885

“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.