SCHEMBL10115464

SCHEMBL10115464

Cc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NC(=O)CCCCNS(=O)(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.42
ALDH1A1 P00352 8/20 0.39
LMNA P02545 2/20 0.36
FABP4 P15090 2/20 0.34
HDAC6 Q9UBN7 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL10115148 0.86 ALDH1A1 (0.38) ALDH1A1LMNAFABP4HDAC6KMT2A
SCHEMBL17090288 0.84 GRIA1 (0.49) GRIA1FABP4NPY5R
SCHEMBL10115461 0.83 ALDH1A1 (0.40) GRIA1ALDH1A1LMNAFABP4HDAC6
SCHEMBL10115347 0.77 KDM4E (0.46) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL10115460 0.77 ALDH1A1 (0.39) GRIA1ALDH1A1LMNAFABP4HDAC6
SCHEMBL10115500 0.76 ALDH1A1 (0.49) GRIA1ALDH1A1LMNAHDAC6KMT2A
SCHEMBL14418583 0.75 ALDH1A1 (0.40) GRIA1ALDH1A1LMNAHDAC6HDAC3
SCHEMBL10115388 0.75 HDAC6 (0.45) GRIA1ALDH1A1LMNAFABP4HDAC6
SCHEMBL10115476 0.74 HDAC3 (0.44) GRIA1ALDH1A1LMNAHDAC6HDAC3
SCHEMBL13566319 0.73 GRIA1 (0.57) GRIA1ALDH1A1KMT2AMEN1FAAH

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 GRIA1 278/4885ALDH1A1 4558/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA1 251/4885ALDH1A1 4599/4885LMNA 2068/4885

“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.