SCHEMBL10133717

SCHEMBL10133717

Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
GALR3 O60755 1/20 0.47
NPC1 O15118 2/20 0.43
GUSB P08236 1/20 0.43
MAPT P10636 1/20 0.43
IGF1R P08069 2/20 0.43
OPRK1 P41145 1/20 0.43
SSTR4 P31391 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CCR8 P51685 1/20 0.41

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
SCHEMBL13203795 1.00 NPY5R (0.49) NPY5RHTTMEN1KMT2ASMN1; SMN2
SCHEMBL10114057 0.86 HTT (0.49) HTTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10133338 0.84 NPY5R (0.53) NPY5RMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL14424735 0.84 NPY5R (0.53) NPY5RMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL17090306 0.80 CYP2C19 (0.45) NPY5RHTTMEN1KMT2ASMN1; SMN2
SCHEMBL13203793 0.80 NPY5R (0.53) NPY5RHTTMEN1KMT2ASMN1; SMN2
SCHEMBL10133702 0.80 NPY5R (0.53) NPY5RHTTMEN1KMT2ASMN1; SMN2
SCHEMBL13565396 0.80 CYP2C19 (0.45) NPY5RHTTMEN1KMT2ASMN1; SMN2
SCHEMBL13646344 0.80 HTT (0.60) HTTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13222420 0.78 NPY5R (0.52) NPY5RHTTMEN1KMT2ASMN1; 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 7 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-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

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 1/4885HTT 1904/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885HTT 2095/4885MEN1 2926/4885

“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.