SCHEMBL10114949

SCHEMBL10114949

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3cnco3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.48
GSK3B P49841 3/20 0.48
DYRK1A Q13627 3/20 0.48
AAK1 Q2M2I8 1/20 0.47
IMPDH2 P12268 2/20 0.46
IMPDH1 P20839 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
JAK3 P52333 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 1/20 0.43
SYK P43405 1/20 0.41
ROCK2 O75116 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
SCHEMBL13204431 1.00 WNT1 (0.48) WNT1GSK3BDYRK1AAAK1IMPDH2
SCHEMBL10114591 0.86 NPY5R (0.52) WNT1GSK3BDYRK1AAAK1IMPDH2
SCHEMBL14424346 0.86 NPY5R (0.52) WNT1GSK3BDYRK1AAAK1IMPDH2
SCHEMBL31036310 0.84 WNT1 (0.62) WNT1GSK3BDYRK1AAAK1IMPDH2
SCHEMBL10116139 0.84 JAK3 (0.47) GSK3BDYRK1AAAK1IMPDH2IMPDH1
SCHEMBL10114572 0.83 TAAR1 (0.50) KMT2ANPC1KDM4ERAB9AALDH1A1
SCHEMBL14424620 0.83 TAAR1 (0.50) KMT2ANPC1KDM4ERAB9AALDH1A1
SCHEMBL10114922 0.82 KMT2A (0.42) AAK1MEN1KMT2ANPC1RAB9A
SCHEMBL14424391 0.82 KMT2A (0.42) AAK1MEN1KMT2ANPC1RAB9A
SCHEMBL12882332 0.81 ADORA2B (0.43) WNT1GSK3BDYRK1AAAK1ADORA2A

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 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 (1 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 WNT1 2577/4885GSK3B 2333/4885DYRK1A 584/4885

“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.