SCHEMBL10113201

SCHEMBL10113201

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc3cc4ccccc4cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
EPHX2 P34913 3/20 0.45
CCR8 P51685 5/20 0.43
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HTR6 P50406 2/20 0.41
PLAU P00749 1/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL13203755 1.00 NPY5R (0.49) NPY5REPHX2CCR8ALDH1A1USP2
SCHEMBL13222420 0.85 NPY5R (0.52) NPY5REPHX2CCR8ALDH1A1USP2
SCHEMBL13203775 0.85 NPY5R (0.52) NPY5REPHX2CCR8ALDH1A1USP2
SCHEMBL10114013 0.85 EPHX2 (0.45) EPHX2CCR8ALDH1A1USP2HDAC1
SCHEMBL10114312 0.81 TSHR (0.58) NPY5REPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL10133211 0.81 TSHR (0.58) NPY5REPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL10114322 0.80 NPY5R (0.61) NPY5RALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL12882406 0.80 NPY5R (0.61) NPY5RALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL17090322 0.79 NSD2 (0.43) NPY5RALDH1A1HDAC1HDAC7HDAC8
SCHEMBL13564744 0.79 NSD2 (0.43) NPY5RALDH1A1HDAC1HDAC7HDAC8

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 NPY5R 1/4885EPHX2 2527/4885CCR8 394/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885EPHX2 2306/4885CCR8 484/4885

“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.