SCHEMBL10133266

SCHEMBL10133266

Cc1cc(N2CC(C)OC(C)C2)cc(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
FLT3 P36888 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL10116590 1.00 THRB (0.44) THRBCRHBPCRHR2RXFP1NPSR1
SCHEMBL10116489 0.89 THRB (0.43) THRBCRHBPCRHR2RXFP1NPSR1
SCHEMBL10133455 0.86 MAPT (0.52) THRBRXFP1MAPTKMT2AALDH1A1
SCHEMBL10114527 0.86 MAPT (0.52) THRBRXFP1MAPTKMT2AALDH1A1
SCHEMBL10116505 0.86 MAPT (0.52) THRBRXFP1MAPTKMT2AALDH1A1
SCHEMBL10134533 0.86 CRHBP (0.44) THRBCRHBPCRHR2RXFP1NPSR1
SCHEMBL10116321 0.86 CRHBP (0.44) THRBCRHBPCRHR2RXFP1NPSR1
SCHEMBL10116231 0.85 THRB (0.46) THRBCRHBPCRHR2RXFP1NPSR1
SCHEMBL10116479 0.84 THRB (0.46) THRBCRHBPCRHR2RXFP1NPSR1
SCHEMBL10116456 0.84 RXFP1 (0.52) THRBRXFP1MAPTKMT2AALDH1A1

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 4 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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 THRB 417/4885CRHBP 256/4885CRHR2 13/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 409/4885CRHBP 247/4885CRHR2 12/4885

“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.