SCHEMBL10115896

SCHEMBL10115896

COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
NPSR1 Q6W5P4 2/20 0.53
ATM Q13315 1/20 0.53
SHMT2 P34897 2/20 0.52
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
LMNA P02545 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL10115889 0.91 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2MAPTKMT2ANAMPT
SCHEMBL10115905 0.91 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2NPSR1ALDH1A1MAPT
SCHEMBL10116174 0.88 TRPV1 (0.47) L3MBTL1SMN1; SMN2MAPTKMT2A
SCHEMBL10115996 0.88 POLB (0.57) L3MBTL1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL10115871 0.85 MAPT (0.61) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL10115576 0.85 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2NPSR1ATMSHMT2
SCHEMBL10114754 0.82 POLB (0.58) SMN1; SMN2NPSR1ALDH1A1MAPTKMT2A
SCHEMBL13204304 0.82 POLB (0.58) SMN1; SMN2NPSR1ALDH1A1MAPTKMT2A
SCHEMBL10116051 0.82 CACNA1H (0.50) SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL10115891 0.82 CYP3A4 (0.57) L3MBTL1SMN1; SMN2NPSR1MAPTKMT2A

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 L3MBTL1 3267/4885SMN1; SMN2 2213/4885NPSR1 7/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 2541/4885SMN1; SMN2 2197/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 3389/4885SMN1; SMN2 2251/4885NPSR1 7/4885

“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.