SCHEMBL10116007

SCHEMBL10116007

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3scnc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 15/20 0.48
GOT1 P17174 1/20 0.48
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
CHRM1 P11229 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL10115991 0.92 CHRM5 (0.46) CHRM5KDM4ENPC1ALDH1A1CYP1A2
SCHEMBL10115660 0.86 GOT1 (0.50) CHRM5GOT1KDM4ENPC1ALDH1A1
SCHEMBL10114822 0.84 CHRM5 (0.56) CHRM5CHRM1
SCHEMBL14627686 0.84 CHRM5 (0.56) CHRM5CHRM1
SCHEMBL10115995 0.82 HTR2C (0.41) KDM4ENPC1ALDH1A1CYP1A2MAPT
SCHEMBL10115993 0.80 RAB9A (0.44) KDM4ENPC1ALDH1A1CYP1A2MAPT
SCHEMBL10116040 0.80 LMNA (0.40) KDM4ENPC1ALDH1A1CYP1A2MAPT
SCHEMBL10114638 0.78 KEAP1 (0.47) CHRM5GOT1KDM4ENPC1ALDH1A1
SCHEMBL10115891 0.78 CYP3A4 (0.57) NPC1MAPTHPGDCYP2C19RAB9A
SCHEMBL10116051 0.78 CACNA1H (0.50) NPC1MAPTRAB9A

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 CHRM5 68/4885GOT1 4037/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CHRM5 66/4885GOT1 4075/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CHRM5 66/4885GOT1 4025/4885KDM4E 1653/4885

“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.