SCHEMBL10134513

SCHEMBL10134513

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NAMPT P43490 5/20 0.41
EPHX2 P34913 1/20 0.41
PANK3 Q9H999 3/20 0.40
HPGDS O60760 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10115914 0.90 NAMPT (0.43) HRH3NPC1RAB9ANAMPTEPHX2
SCHEMBL10115860 0.89 MAPT (0.48) HRH3NPC1RAB9ANAMPTPANK3
SCHEMBL10115911 0.89 MAPT (0.48) HRH3NPC1RAB9ANAMPTPANK3
SCHEMBL10134461 0.87 HRH3 (0.44) HRH3NAMPTEPHX2HPGDSMAPT
SCHEMBL14424803 0.86 ALDH1A1 (0.47) RAB9AEPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL10134445 0.86 ALDH1A1 (0.47) RAB9AEPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL10134516 0.84 KDM4E (0.46) HRH3NAMPTEPHX2PANK3ALDH1A1
SCHEMBL10115895 0.84 KDM4E (0.46) HRH3NAMPTEPHX2PANK3ALDH1A1
SCHEMBL10115887 0.84 KDM4E (0.46) HRH3NAMPTEPHX2PANK3ALDH1A1
SCHEMBL10134515 0.84 KDM4E (0.46) HRH3NAMPTEPHX2PANK3ALDH1A1

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 HRH3 417/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 458/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HRH3 421/4885NPC1 1462/4885RAB9A 3820/4885

“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.