SCHEMBL10115876

SCHEMBL10115876

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.42
LMNA P02545 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
CCR2 P41597 3/20 0.40
KCNH2 Q12809 3/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL10133521 1.00 NPY2R (0.42) NPY2RLMNAL3MBTL1ATMNPSR1
SCHEMBL10115872 0.91 HRH3 (0.45) LMNAL3MBTL1ATMNPSR1KDM4E
SCHEMBL10115868 0.90 USP30 (0.45) LMNAL3MBTL1ATMNPSR1KDM4E
SCHEMBL10133274 0.88 HSD11B1 (0.44) NPY2RLMNAL3MBTL1ATMNPSR1
SCHEMBL10115557 0.88 HSD11B1 (0.44) NPY2RLMNAL3MBTL1ATMNPSR1
SCHEMBL10116482 0.87 HPGD (0.48) NPY2RLMNAL3MBTL1KDM4ERECQL
SCHEMBL10133617 0.87 HPGD (0.48) NPY2RLMNAL3MBTL1KDM4ERECQL
SCHEMBL10114721 0.87 HPGD (0.48) NPY2RLMNAL3MBTL1KDM4ERECQL
SCHEMBL13204294 0.87 HPGD (0.48) NPY2RLMNAL3MBTL1KDM4ERECQL
SCHEMBL10115911 0.85 MAPT (0.48) LMNAL3MBTL1ATMNPSR1TP53

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 NPY2R 3/4885LMNA 1925/4885L3MBTL1 3267/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY2R 3/4885LMNA 2068/4885L3MBTL1 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.