SCHEMBL10116142

SCHEMBL10116142

Cc1cc(OCC2CC2)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ACACB O00763 2/20 0.42
CCR8 P51685 2/20 0.41
GPR119 Q8TDV5 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
MCHR1 Q99705 5/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL10115807 0.87 THRB (0.44) THRBACACBCCR8GPR119RAB9A
SCHEMBL10116112 0.85 GPR119 (0.49) THRBGPR119GAA
SCHEMBL10116145 0.85 CCR8 (0.41) THRBCCR8GAA
SCHEMBL14424389 0.85 ACACB (0.42) ACACBCCR8RAB9ANPC1
SCHEMBL10114919 0.85 ACACB (0.42) ACACBCCR8RAB9ANPC1
SCHEMBL10116146 0.84 HRH3 (0.44) THRBACACBCCR8RAB9ANPC1
SCHEMBL10116122 0.84 HTT (0.46) GPR119RAB9ANPC1
SCHEMBL13564939 0.80 ACACB (0.39) ACACB
SCHEMBL17090034 0.80 ACACB (0.39) ACACB
SCHEMBL10116148 0.80 CCR8 (0.47) THRBCCR8RAB9ANPC1GAA

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 THRB 414/4885ACACB 3152/4885CCR8 429/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 417/4885ACACB 3070/4885CCR8 394/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 409/4885ACACB 3095/4885CCR8 484/4885

“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.