SCHEMBL10113093

SCHEMBL10113093

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(Br)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.56
▸ EPHX2 P34913 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ LMNA P02545 4/20 0.46
▸ GLA P06280 1/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13203713 1.00 NPY5R (0.56) NPY5REPHX2FAAHNAMPTLMNA
SCHEMBL10114303 0.88 NPY5R (0.57) NPY5REPHX2FAAHNAMPTLMNA
SCHEMBL10114575 0.88 LMNA (0.60) NPY5RNAMPTLMNAMEN1KMT2A
SCHEMBL14424621 0.88 LMNA (0.60) NPY5RNAMPTLMNAMEN1KMT2A
SCHEMBL10114402 0.88 NPY5R (0.57) NPY5RNAMPTLMNAGLAMEN1
SCHEMBL10134439 0.88 NPY5R (0.57) NPY5RNAMPTLMNAGLAMEN1
SCHEMBL10113101 0.88 NAMPT (0.66) NPY5RNAMPTLMNAGLAMEN1
SCHEMBL10133451 0.88 NPY5R (0.57) NPY5REPHX2FAAHNAMPTLMNA
SCHEMBL13203719 0.88 NAMPT (0.66) NPY5RNAMPTLMNAGLAMEN1
SCHEMBL13523277 0.88 GAA (0.49) NPY5REPHX2FAAHMEN1KMT2A

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 NPY5R 1/4885EPHX2 2527/4885FAAH 994/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885EPHX2 2306/4885FAAH 974/4885

“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.

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