SCHEMBL10116644

SCHEMBL10116644

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.58
CRHR2 Q13324 3/20 0.58
KMT2A Q03164 3/20 0.57
NAMPT P43490 1/20 0.54
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.47
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL10133618 1.00 CRHBP (0.58) CRHBPCRHR2KMT2ANAMPTHPGD
SCHEMBL10116643 0.90 RXFP1 (0.56) CRHBPCRHR2KMT2ANAMPTHPGD
SCHEMBL10133619 0.90 RXFP1 (0.56) CRHBPCRHR2KMT2ANAMPTHPGD
SCHEMBL10114527 0.87 MAPT (0.52) KMT2AALDH1A1NPC1THRBMEN1
SCHEMBL10133455 0.87 MAPT (0.52) KMT2AALDH1A1NPC1THRBMEN1
SCHEMBL10116505 0.87 MAPT (0.52) KMT2AALDH1A1NPC1THRBMEN1
SCHEMBL10116508 0.85 THRB (0.65) KMT2AHPGDALDH1A1THRBMEN1
SCHEMBL10133287 0.85 THRB (0.65) KMT2AHPGDALDH1A1THRBMEN1
SCHEMBL10116361 0.84 CRHBP (0.64) CRHBPCRHR2KMT2ANAMPTHPGD
SCHEMBL10134535 0.84 CRHBP (0.64) CRHBPCRHR2KMT2ANAMPTHPGD

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 6 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-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 CRHBP 238/4885CRHR2 12/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CRHBP 256/4885CRHR2 13/4885KMT2A 2768/4885

“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.