SCHEMBL10114751

SCHEMBL10114751

Cc1c(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GSK3B P49841 1/20 0.41
GAK O14976 1/20 0.38
LMNA P02545 4/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CCR8 P51685 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
GRIA2 P42262 3/20 0.33
NPY5R Q15761 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL14424177 1.00 MAPT (0.41) MAPTGSK3BGAKLMNAKDM4E
SCHEMBL10114831 0.93 MAPT (0.39) MAPTGSK3BGAKLMNAKDM4E
SCHEMBL14424112 0.93 MAPT (0.39) MAPTGSK3BGAKLMNAKDM4E
SCHEMBL10133239 0.93 MAPT (0.39) MAPTGSK3BGAKLMNAKDM4E
SCHEMBL10114704 0.89 MAPT (0.40) MAPTGSK3BGAKLMNAKDM4E
SCHEMBL13204300 0.89 MAPT (0.40) MAPTGSK3BGAKLMNAKDM4E
SCHEMBL13204394 0.87 LMNA (0.34) MAPTGSK3BGAKLMNARAB9A
SCHEMBL14418512 0.87 LMNA (0.34) MAPTGSK3BGAKLMNARAB9A
SCHEMBL10114898 0.87 LMNA (0.34) MAPTGSK3BGAKLMNARAB9A
SCHEMBL10133442 0.87 LMNA (0.34) MAPTGSK3BGAKLMNARAB9A

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 8 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-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-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 MAPT 3602/4885GSK3B 2267/4885GAK 3027/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885GSK3B 2333/4885GAK 2999/4885

“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.