SCHEMBL10114950

SCHEMBL10114950

Cc1c(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc(OCC2CC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
GRIA2 P42262 2/20 0.38
RECQL P46063 1/20 0.36
ACACB O00763 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 1/20 0.35
CCR8 P51685 1/20 0.35
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34

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
SCHEMBL13204432 1.00 GSK3A (0.38) GSK3AGSK3BGRIA2RECQLACACB
SCHEMBL13204434 0.89 ACACB (0.36) GSK3AGSK3BGRIA2RECQLACACB
SCHEMBL10114941 0.89 ACACB (0.36) GSK3AGSK3BGRIA2RECQLACACB
SCHEMBL13565174 0.83 PTGER4 (0.36) GRIA2PDE4APDE4BPDE4CPDE4D
SCHEMBL17090197 0.83 PTGER4 (0.36) GRIA2PDE4APDE4BPDE4CPDE4D
SCHEMBL10114919 0.83 ACACB (0.42) GRIA2ACACBCCR8RAB9A
SCHEMBL14424389 0.83 ACACB (0.42) GRIA2ACACBCCR8RAB9A
SCHEMBL13204435 0.83 POLB (0.45) L3MBTL1GAACCR8LMNARAB9A
SCHEMBL10114990 0.83 POLB (0.45) L3MBTL1GAACCR8LMNARAB9A
SCHEMBL13204412 0.81 LMNA (0.42) GRIA2LMNARAB9A

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-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-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

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 GSK3A 2669/4885GSK3B 2333/4885GRIA2 334/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GSK3A 2567/4885GSK3B 2284/4885GRIA2 358/4885

“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.