SCHEMBL10113299

SCHEMBL10113299

CCCCOc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
GABRA5 P31644 1/20 0.43
FLT3 P36888 3/20 0.42
TYRO3 Q06418 3/20 0.42
MERTK Q12866 3/20 0.42
GAS6 Q14393 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ENPP3 O14638 3/20 0.40
ENPP1 P22413 3/20 0.40
ENPP2 Q13822 2/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL13203814 1.00 NPY5R (0.52) NPY5RL3MBTL1MAPTGABRA5FLT3
SCHEMBL10113294 0.87 KMT2A (0.53) NPY5RMAPTKMT2AENPP3ENPP1
SCHEMBL13203809 0.87 KMT2A (0.53) NPY5RMAPTKMT2AENPP3ENPP1
SCHEMBL10114068 0.86 L3MBTL1 (0.47) L3MBTL1MAPTGABRA5FLT3TYRO3
SCHEMBL10114215 0.85 L3MBTL1 (0.46) L3MBTL1MAPTGABRA5FLT3TYRO3
SCHEMBL13972912 0.84 L3MBTL1 (0.54) L3MBTL1MAPTGABRA5FLT3TYRO3
SCHEMBL13203812 0.83 NPY5R (0.47) NPY5RL3MBTL1MAPTKMT2AMEN1
SCHEMBL10113277 0.83 NPY5R (0.47) NPY5RL3MBTL1MAPTKMT2AMEN1
SCHEMBL10113295 0.82 KMT2A (0.57) NPY5RMAPTGABRA5KMT2A
SCHEMBL13203816 0.82 KMT2A (0.57) NPY5RMAPTGABRA5KMT2A

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 1/4885L3MBTL1 2541/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885L3MBTL1 3389/4885MAPT 3683/4885

“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.