SCHEMBL10116504

SCHEMBL10116504

CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.69
ALDH1A1 P00352 3/20 0.69
CYP2C9 P11712 1/20 0.69
HPGD P15428 1/20 0.69
CYP2C19 P33261 1/20 0.69
RAB9A P51151 5/20 0.67
NPC1 O15118 5/20 0.67
USP2 O75604 2/20 0.66
TP53 P04637 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.59
HIF1A Q16665 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.53

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
SCHEMBL10116516 0.85 ALDH1A1 (0.56) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL10116579 0.84 MAPT (0.51) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL10116224 0.84 MAPT (0.73) MAPTALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13565357 0.81 MAPT (0.72) MAPTALDH1A1RAB9AMAPK1HSD17B10
SCHEMBL10134536 0.80 MAPT (0.46) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL13204906 0.80 MAPT (0.46) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL13204910 0.80 MAPT (0.46) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL10116495 0.80 MAPT (0.46) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL10116497 0.80 MAPT (0.46) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL10116505 0.79 MAPT (0.52) MAPTALDH1A1RAB9ANPC1USP2

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 MAPT 3602/4885ALDH1A1 4558/4885CYP2C9 1324/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885ALDH1A1 4599/4885CYP2C9 1654/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885ALDH1A1 4517/4885CYP2C9 1344/4885

“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.