SCHEMBL10114645

SCHEMBL10114645

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 7/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 2/20 0.53
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL10115636 0.94 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL10115693 0.88 LMNA (0.46) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL10115976 0.85 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL13840463 0.85 SMN1; SMN2 (0.60) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL10115633 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL10113095 0.83 NPC1 (0.61) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL13203716 0.83 NPC1 (0.61) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL10115710 0.81 LMNA (0.46) SMN1; SMN2MAPTNPC1RAB9ANPSR1
SCHEMBL10115573 0.81 CYP3A4 (0.57) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL12882021 0.81 LMNA (0.53) ALDH1A1POLBNPSR1TSHREPHX2

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 SMN1; SMN2 2213/4885MAPT 3602/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885MAPT 3367/4885NPC1 1353/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885MAPT 3683/4885NPC1 1462/4885

“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.