SCHEMBL10114459

SCHEMBL10114459

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ncccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.60
NPC1 O15118 3/20 0.40
TYK2 P29597 1/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL14424745 1.00 NPY5R (0.60) NPY5RNPC1TYK2POLBTSHR
SCHEMBL10114462 0.88 NPY5R (0.58) NPY5RNPC1TYK2POLBGLA
SCHEMBL14424756 0.88 NPY5R (0.58) NPY5RNPC1TYK2POLBGLA
SCHEMBL10114629 0.86 NPY5R (0.65) NPY5RNPC1POLBTSHRHPGD
SCHEMBL14627691 0.82 GRIA2 (0.42) NPY5RTYK2POLBTSHRHPGD
SCHEMBL10114818 0.82 GRIA2 (0.42) NPY5RTYK2POLBTSHRHPGD
SCHEMBL10114293 0.80 GLA (0.62) NPY5RNPC1GLAHPGDALDH1A1
SCHEMBL10133376 0.80 GLA (0.62) NPY5RNPC1GLAHPGDALDH1A1
SCHEMBL10133702 0.80 NPY5R (0.53) NPY5RALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL13203793 0.80 NPY5R (0.53) NPY5RALDH1A1LMNAKDM4ESMN1; SMN2

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 9 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-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
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R NPY5R 1/4885NPC1 1435/4885TYK2 475/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885NPC1 1353/4885TYK2 524/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885NPC1 1462/4885TYK2 442/4885

“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.