SCHEMBL10133751

SCHEMBL10133751

CC1CN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2Cl)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR1A P08908 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 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
SCHEMBL10115210 1.00 NPC1 (0.48) NPC1SMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL10115371 0.90 GAA (0.43) NPC1SMN1; SMN2TP53ALOX15HTR1A
SCHEMBL10115332 0.89 TP53 (0.42) L3MBTL1TP53ALOX15HTR1ATSHR
SCHEMBL10133519 0.87 NPC1 (0.48) NPC1SMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL10115011 0.87 NPC1 (0.48) NPC1SMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL11935738 0.86 GRIA1 (0.38) SMN1; SMN2L3MBTL1CYP2D6CYP2C9HTR1A
SCHEMBL11941197 0.86 GRIA1 (0.38) SMN1; SMN2L3MBTL1CYP2D6CYP2C9HTR1A
SCHEMBL10115381 0.85 MAPT (0.48) NPC1L3MBTL1TP53ALOX15HTR1A
SCHEMBL10113352 0.85 MAPT (0.48) NPC1L3MBTL1TP53ALOX15HTR1A
SCHEMBL10113727 0.85 MAPT (0.48) NPC1L3MBTL1TP53ALOX15HTR1A

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 NPC1 1353/4885SMN1; SMN2 2197/4885L3MBTL1 2541/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885SMN1; SMN2 2251/4885L3MBTL1 3389/4885

“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.