SCHEMBL10114641

SCHEMBL10114641

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nc3ccccc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
GAA P10253 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPY5R Q15761 1/20 0.52
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
ADORA1 P30542 1/20 0.50
DYRK1A Q13627 1/20 0.50

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
SCHEMBL13204244 1.00 CYP1A2 (0.56) CYP1A2GAACYP2C19NPY5RNPC1
SCHEMBL278678 0.85 CLK1 (0.54) CYP1A2CYP2C19NPY5RNPC1RAB9A
SCHEMBL4131617 0.85 CLK1 (0.54) CYP1A2CYP2C19NPY5RNPC1RAB9A
SCHEMBL880500 0.83 GAA (0.76) CYP1A2GAACYP2C19NPC1RAB9A
SCHEMBL13439078 0.80 NPC1 (0.47) CYP1A2GAACYP2C19NPC1RAB9A
SCHEMBL11935361 0.80 NPC1 (0.47) CYP1A2GAACYP2C19NPC1RAB9A
SCHEMBL10133338 0.80 NPY5R (0.53) GAANPY5RNPC1RAB9AMEN1
SCHEMBL14424735 0.80 NPY5R (0.53) GAANPY5RNPC1RAB9AMEN1
SCHEMBL6227837 0.78 GAA (0.68) CYP1A2GAACYP2C19NPC1RAB9A
SCHEMBL10133429 0.78 CSNK2A2 (0.56) NPY5RNPC1RAB9AMEN1KMT2A

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 7 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-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 CYP1A2 1230/4885GAA 3316/4885CYP2C19 1491/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CYP1A2 1051/4885GAA 3472/4885CYP2C19 1159/4885

“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.