SCHEMBL10115882

SCHEMBL10115882

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)cc2N2C[C@@H](C)O[C@@H](C)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PAK1 Q13153 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
WDR5 P61964 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
TP53 P04637 1/20 0.35
PANK3 Q9H999 1/20 0.35

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
SCHEMBL10133524 1.00 OPRM1 (0.41) OPRM1HTTL3MBTL1USP30PAK1
SCHEMBL10115894 0.88 USP30 (0.38) OPRM1HTTL3MBTL1USP30PAK1
SCHEMBL10115569 0.88 OPRM1 (0.41) OPRM1HTTUSP30PAK1SMN1; SMN2
SCHEMBL10133273 0.88 OPRM1 (0.41) OPRM1HTTUSP30PAK1SMN1; SMN2
SCHEMBL10115968 0.86 USP30 (0.37) OPRM1HTTL3MBTL1USP30KMT2A
SCHEMBL10133591 0.86 USP30 (0.37) OPRM1HTTL3MBTL1USP30KMT2A
SCHEMBL13204297 0.86 TP53 (0.42) SMN1; SMN2MAPTKMT2AWDR5USP2
SCHEMBL10134094 0.86 TP53 (0.42) SMN1; SMN2MAPTKMT2AWDR5USP2
SCHEMBL10114723 0.86 TP53 (0.42) SMN1; SMN2MAPTKMT2AWDR5USP2
SCHEMBL10133826 0.86 HTT (0.38) OPRM1HTTL3MBTL1USP30MAPT

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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R OPRM1 221/4885HTT 2081/4885L3MBTL1 3267/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R OPRM1 217/4885HTT 1904/4885L3MBTL1 2541/4885

“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.