SCHEMBL10114124

SCHEMBL10114124

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
RXFP1 Q9HBX9 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 1/20 0.49
GRIA2 P42262 1/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL14424165 1.00 NPC1 (0.52) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL10114873 0.89 NPC1 (0.48) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL14424270 0.89 NPC1 (0.48) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL10114843 0.87 NPC1 (0.47) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL14424366 0.87 NPC1 (0.47) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL10114532 0.87 NPC1 (0.55) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL14424171 0.87 NPC1 (0.55) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL14424367 0.86 NPC1 (0.46) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL10114853 0.86 NPC1 (0.46) NPC1RAB9ARXFP1USP2LMNA
SCHEMBL10114939 0.85 GRIA2 (0.53) NPC1RAB9AUSP2LMNAALDH1A1

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 12 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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
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 NPC1 1435/4885RAB9A 3699/4885RXFP1 54/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885RXFP1 53/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885RXFP1 54/4885

“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.