SCHEMBL10116359

SCHEMBL10116359

CC1CCC(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.55
RAB9A P51151 9/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
KMT2A Q03164 3/20 0.48
TSHR P16473 1/20 0.47
BRD4 O60885 3/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK2 O60674 2/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL10114516 0.95 KMT2A (0.50) NPC1RAB9ASMN1; SMN2CA12CA9
SCHEMBL10114519 0.88 KMT2A (0.60) NPC1RAB9ASMN1; SMN2CA12CA9
SCHEMBL10116374 0.84 KMT2A (0.55) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL10116358 0.81 HTT (0.50) SMN1; SMN2CA12CA9KMT2ABRD4
SCHEMBL517500 0.81 NPC1 (0.65) NPC1RAB9ASMN1; SMN2CA12CA9
SCHEMBL13566054 0.79 HPGD (0.51) NPC1RAB9ASMN1; SMN2CA12CA9
SCHEMBL17470865 0.79 TRPV1 (0.60) NPC1RAB9ASMN1; SMN2CA12CA9
SCHEMBL10116379 0.77 HTT (0.45) NPC1RAB9ASMN1; SMN2CA12CA9
SCHEMBL10116376 0.77 HTR2B (0.56) NPC1RAB9ASMN1; SMN2KMT2ABRD4
SCHEMBL10114525 0.77 HTT (0.46) NPC1RAB9ASMN1; SMN2KMT2ABRD4

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 3699/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885SMN1; 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.