SCHEMBL10115916

SCHEMBL10115916

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3CCC(=O)CC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 5/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
NAMPT P43490 2/20 0.47
CA12 O43570 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
CA1 P00915 5/20 0.43
PTPN7 P35236 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL10116017 0.88 NAMPT (0.49) PANK3MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10115902 0.87 NAMPT (0.55) PANK3MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10115611 0.86 CA12 (0.48) PANK3MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL14424182 0.85 MEN1 (0.47) MAPTSMN1; SMN2TP53ALDH1A1NAMPT
SCHEMBL10114773 0.85 MEN1 (0.47) MAPTSMN1; SMN2TP53ALDH1A1NAMPT
SCHEMBL10115852 0.84 NPC1 (0.57) PANK3MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10115887 0.84 KDM4E (0.46) PANK3MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10134516 0.84 KDM4E (0.46) PANK3MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10115895 0.84 KDM4E (0.46) PANK3MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10134515 0.84 KDM4E (0.46) PANK3MAPTSMN1; SMN2TP53ALDH1A1

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 11 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-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 (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 PANK3 4424/4885MAPT 3602/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PANK3 4296/4885MAPT 3367/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PANK3 4362/4885MAPT 3683/4885SMN1; SMN2 2251/4885

“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.