SCHEMBL10116121

SCHEMBL10116121

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 2/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
AKR1C3 P42330 2/20 0.41

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
SCHEMBL10116107 0.97 NAMPT (0.44) SMN1; SMN2MAPTNAMPTNPC1RAB9A
SCHEMBL13204413 0.86 KMT2A (0.55) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL10115777 0.86 NAMPT (0.46) SMN1; SMN2MAPTNAMPTNPC1RAB9A
SCHEMBL10114937 0.86 KMT2A (0.55) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL12882838 0.84 TSHR (0.48) NPC1RAB9AKMT2AMEN1TSHR
SCHEMBL10115916 0.83 PANK3 (0.48) SMN1; SMN2MAPTNAMPTNPC1RAB9A
SCHEMBL14424376 0.83 KMT2A (0.52) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL10115761 0.83 NAMPT (0.46) SMN1; SMN2MAPTNAMPTNPC1RAB9A
SCHEMBL10114916 0.83 KMT2A (0.52) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL10116017 0.82 NAMPT (0.49) SMN1; SMN2MAPTNAMPTNPC1RAB9A

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 3602/4885NAMPT 2678/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885MAPT 3367/4885NAMPT 2350/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885MAPT 3683/4885NAMPT 2832/4885

“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.