SCHEMBL10115712

SCHEMBL10115712

Cc1cc(N2CC=CC2)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
CCR8 P51685 8/20 0.44
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.43
PANK3 Q9H999 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRM1 P35372 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
SCHEMBL10115561 0.88 HRH3 (0.47) HRH3CCR8MAPK1RAB9ATHRB
SCHEMBL10133585 0.88 HRH3 (0.47) HRH3CCR8MAPK1RAB9ATHRB
SCHEMBL10116053 0.87 HRH3 (0.44) HRH3CCR8MAPK1RAB9ATHRB
SCHEMBL10115667 0.84 NPY5R (0.48) CCR8MAPK1RAB9ATHRBNPC1
SCHEMBL10115664 0.84 LMNA (0.50) CCR8KMT2ALMNANPSR1
SCHEMBL10133583 0.81 HRH3 (0.41) HRH3CCR8MAPK1RAB9ATHRB
SCHEMBL10115684 0.81 HRH3 (0.41) HRH3CCR8MAPK1RAB9ATHRB
SCHEMBL10114695 0.80 CCR8 (0.48) CCR8MAPK1RAB9ATHRBNPC1
SCHEMBL10115812 0.80 HRH3 (0.44) HRH3CCR8MAPK1RAB9ATHRB
SCHEMBL10115831 0.79 HDAC1 (0.52) CCR8MAPK1RAB9ATHRBNPC1

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 11 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
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 HRH3 417/4885CCR8 429/4885MAPK1 1371/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 458/4885CCR8 394/4885MAPK1 1345/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 421/4885CCR8 484/4885MAPK1 1323/4885

“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.