SCHEMBL10115213

SCHEMBL10115213

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10133750 1.00 HTR1A (0.40) HTR1AHDAC3HDAC1KMT2AMEN1
SCHEMBL10115340 0.91 KMT2A (0.45) HTR1AHDAC3HDAC1KMT2AMEN1
SCHEMBL12882821 0.91 KMT2A (0.45) HTR1AHDAC3HDAC1KMT2AMEN1
SCHEMBL10114455 0.87 HDAC3 (0.39) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL10134416 0.87 HDAC3 (0.39) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL10115300 0.86 KMT2A (0.38) HTR1AHDAC3HDAC1KMT2AMEN1
SCHEMBL11935740 0.86 BRD4 (0.41) HTR1ABRD4TRPV1
SCHEMBL11941199 0.86 BRD4 (0.41) HTR1ABRD4TRPV1
SCHEMBL10115290 0.85 HDAC3 (0.46) HTR1AHDAC3HDAC1KMT2AMEN1
SCHEMBL10133748 0.85 HDAC3 (0.46) HTR1AHDAC3HDAC1KMT2AMEN1

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 HTR1A 302/4885HDAC3 664/4885HDAC1 1995/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTR1A 300/4885HDAC3 489/4885HDAC1 1703/4885

“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.