SCHEMBL10116148

SCHEMBL10116148

Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
THRB P10828 1/20 0.44
CNR2 P34972 2/20 0.41
CTDSP1 Q9GZU7 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL10114695 0.88 CCR8 (0.48) CCR8MAPK1RAB9ANPC1THRB
SCHEMBL10116061 0.84 KMT2A (0.52) CTDSP1LMNAMEN1KMT2ATDP1
SCHEMBL10114954 0.84 SMN1; SMN2 (0.42) CCR8RAB9ANPC1THRBCNR2
SCHEMBL13204439 0.84 SMN1; SMN2 (0.42) CCR8RAB9ANPC1THRBCNR2
SCHEMBL10115986 0.83 CTDSP1 (0.48) NPC1CTDSP1LMNAMEN1KMT2A
SCHEMBL10116146 0.82 HRH3 (0.44) CCR8MAPK1RAB9ANPC1THRB
SCHEMBL10116019 0.82 EPHX2 (0.46) CCR8MAPK1RAB9ANPC1THRB
SCHEMBL13973402 0.81 RAB9A (0.65) MAPK1RAB9ANPC1THRBL3MBTL1
SCHEMBL10116044 0.81 USP2 (0.48) CCR8THRBCTDSP1KMT2AL3MBTL1
SCHEMBL10116053 0.81 HRH3 (0.44) CCR8MAPK1RAB9ANPC1THRB

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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R CCR8 429/4885MAPK1 1371/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CCR8 394/4885MAPK1 1345/4885RAB9A 3651/4885

“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.