SCHEMBL10116154

SCHEMBL10116154

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OCC3CCCCO3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.45
ACACB O00763 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 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
SCHEMBL10115821 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL13204443 0.85 RAB9A (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL10114968 0.85 RAB9A (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL10116112 0.85 GPR119 (0.49) SMN1; SMN2ALDH1A1MAPTKDM4EEPHX2
SCHEMBL13204747 0.80 POLB (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL10116097 0.80 NAMPT (0.51) SMN1; SMN2MAPT
SCHEMBL17090200 0.80 RAB9A (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL13565441 0.80 RAB9A (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL10115871 0.80 MAPT (0.61) SMN1; SMN2ALDH1A1LMNAMAPTEPHX2
SCHEMBL10116113 0.79 FAAH (0.52) SMN1; SMN2

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 9 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-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 2213/4885ALDH1A1 4558/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885ALDH1A1 4599/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885ALDH1A1 4517/4885RAB9A 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.