SCHEMBL10133274

SCHEMBL10133274

CC1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2Cl)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
NPY2R P49146 5/20 0.43
LMNA P02545 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 1/20 0.42
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
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10115557 1.00 HSD11B1 (0.44) HSD11B1NPY2RLMNAL3MBTL1NPSR1
SCHEMBL10115555 0.91 HRH3 (0.46) LMNAL3MBTL1NPSR1ATMHTT
SCHEMBL10115563 0.90 USP30 (0.46) HSD11B1NPY2RLMNAL3MBTL1NPSR1
SCHEMBL10133521 0.88 NPY2R (0.42) HSD11B1NPY2RLMNAL3MBTL1NPSR1
SCHEMBL10115876 0.88 NPY2R (0.42) HSD11B1NPY2RLMNAL3MBTL1NPSR1
SCHEMBL10116202 0.87 HPGD (0.49) NPY2RLMNANPSR1HTTMAPT
SCHEMBL10133406 0.87 HPGD (0.49) NPY2RLMNANPSR1HTTMAPT
SCHEMBL14627693 0.87 HPGD (0.49) NPY2RLMNANPSR1HTTMAPT
SCHEMBL10114324 0.87 HPGD (0.49) NPY2RLMNANPSR1HTTMAPT
SCHEMBL10133362 0.85 MAPT (0.49) LMNAL3MBTL1NPSR1ATMMAPT

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 4 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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 HSD11B1 858/4885NPY2R 3/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HSD11B1 791/4885NPY2R 3/4885LMNA 1857/4885

“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.