SCHEMBL10114931

SCHEMBL10114931

Cc1c(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc(-c2ccco2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.41
ADORA2B P29275 7/20 0.41
ADORA1 P30542 7/20 0.41
ADORA3 P0DMS8 6/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GSK3B P49841 2/20 0.38
GSK3A P49840 2/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 1/20 0.36
USP2 O75604 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
SCHEMBL13204429 1.00 ADORA2A (0.41) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL10116137 0.85 KMT2A (0.41) ADORA2AADORA1ADORA3ALDH1A1RAB9A
SCHEMBL12882332 0.85 ADORA2B (0.43) ADORA2AADORA2BADORA1GSK3BGRIA2
SCHEMBL14424387 0.83 GSK3A (0.45) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL10114934 0.83 GSK3A (0.45) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL13565137 0.81 GRIA2 (0.33) ALDH1A1KDM4EPOLBMAPTGRIA2
SCHEMBL17090540 0.81 GRIA2 (0.33) ALDH1A1KDM4EPOLBMAPTGRIA2
SCHEMBL10114572 0.80 TAAR1 (0.50) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL14424620 0.80 TAAR1 (0.50) ADORA2AADORA2BADORA1ADORA3ALDH1A1
SCHEMBL10115014 0.77 GRIA2 (0.53) ALDH1A1RAB9ANPC1KDM4EPOLB

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-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-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 ADORA2A 1330/4885ADORA2B 1262/4885ADORA1 971/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ADORA2A 1307/4885ADORA2B 1179/4885ADORA1 928/4885

“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.