SCHEMBL10113302

SCHEMBL10113302

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.68
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 2/20 0.60
HTR1A P08908 3/20 0.58
BCHE P06276 2/20 0.58
ACHE P22303 2/20 0.58
HTR1B P28222 2/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
MEN1 O00255 4/20 0.56
PKM P14618 2/20 0.56
SPR P35270 1/20 0.55
MTNR1B P49286 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL13203825 1.00 MTNR1A (0.68) MTNR1AKMT2AALDH1A1HTR1ABCHE
SCHEMBL10114080 0.87 MTNR1A (0.67) MTNR1AKMT2AALDH1A1HTR1ABCHE
SCHEMBL4394464 0.86 MTNR1A (0.90) MTNR1AKMT2AALDH1A1HTR1ABCHE
SCHEMBL17090132 0.85 BCHE (0.53) MTNR1AKMT2AALDH1A1HTR1ABCHE
SCHEMBL13565748 0.85 BCHE (0.53) MTNR1AKMT2AALDH1A1HTR1ABCHE
SCHEMBL11468610 0.81 MTNR1A (0.97) MTNR1AKMT2AALDH1A1HTR1ABCHE
SCHEMBL10114150 0.80 CYP2C19 (0.60) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL19411584 0.79 MTNR1A (0.77) MTNR1AKMT2AALDH1A1HTR1ABCHE
SCHEMBL13745656 0.79 MTNR1A (0.77) MTNR1AKMT2AALDH1A1HTR1ABCHE
SCHEMBL10114281 0.77 MTNR1A (0.75) MTNR1AKMT2AALDH1A1HTR1ABCHE

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 8 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MTNR1A 177/4885KMT2A 2768/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MTNR1A 205/4885KMT2A 2953/4885ALDH1A1 4517/4885

“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.