SCHEMBL10113074

SCHEMBL10113074

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 1/20 0.54
MAPT P10636 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
NPY5R Q15761 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
MCHR1 Q99705 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
EPHX2 P34913 2/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL12864679 1.00 ME3 (0.54) ME3MAPTMEN1KMT2AGLA
SCHEMBL10113079 0.91 NPY5R (0.50) ME3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12864683 0.91 NPY5R (0.50) ME3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12864675 0.91 EPHX2 (0.56) ME3MAPTMEN1KMT2ANPY5R
SCHEMBL10113070 0.91 EPHX2 (0.56) ME3MAPTMEN1KMT2ANPY5R
SCHEMBL13203699 0.90 EPHX2 (0.58) ME3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10113066 0.90 EPHX2 (0.58) ME3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14424749 0.90 NPY5R (0.53) ME3MAPTMEN1KMT2AGLA
SCHEMBL10114470 0.90 NPY5R (0.53) ME3MAPTMEN1KMT2AGLA
SCHEMBL10114363 0.89 MAPT (0.54) MAPTMEN1KMT2ANPY5RALDH1A1

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 ME3 2988/4885MAPT 3367/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ME3 3370/4885MAPT 3683/4885MEN1 2926/4885

“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.