SCHEMBL13204591

SCHEMBL13204591

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1NC(=O)CCCCNS(=O)(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HTR1A P08908 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
BRD4 O60885 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KCNQ2 O43526 1/20 0.35
GRIA1 P42261 3/20 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
SCHEMBL10115363 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HTR1AHDAC6
SCHEMBL12882821 0.89 KMT2A (0.45) ALDH1A1KMT2AMEN1HTR1AHDAC6
SCHEMBL10115340 0.89 KMT2A (0.45) ALDH1A1KMT2AMEN1HTR1AHDAC6
SCHEMBL10115093 0.86 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HDAC6USP2
SCHEMBL13204526 0.86 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HDAC6USP2
SCHEMBL17090056 0.85 GRIA1 (0.41) HTR1ABRD4GRIA1
SCHEMBL13564993 0.85 GRIA1 (0.41) HTR1ABRD4GRIA1
SCHEMBL10115306 0.84 GAA (0.41) ALDH1A1KMT2AMEN1HTR1AHDAC6
SCHEMBL10115381 0.84 MAPT (0.48) ALDH1A1HTR1AHDAC6USP2GAA
SCHEMBL10113352 0.84 MAPT (0.48) ALDH1A1HTR1AHDAC6USP2GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ALDH1A1 4558/4885KMT2A 2912/4885MEN1 2876/4885

“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.