SCHEMBL13439239

SCHEMBL13439239

Cc1c(C)c(C(=O)NC(C)C)c(C)c(C)c1NC[C@H]1CC[C@H](N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
PTGER4 P35408 2/20 0.36
BTK Q06187 1/20 0.33
MMP8 P22894 2/20 0.32
MMP1 P03956 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
MMP2 P08253 1/20 0.31
ACACB O00763 2/20 0.31
SMYD3 Q9H7B4 1/20 0.30
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MERTK Q12866 2/20 0.30
F2 P00734 2/20 0.30
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
JAK3 P52333 1/20 0.30
SCN5A Q14524 1/20 0.30

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
SCHEMBL11935506 1.00 MAPK14 (0.37) MAPK14PTGER4BTKMMP8MMP1
SCHEMBL17090539 0.81 MAPK14 (0.34) MAPK14PTGER4
SCHEMBL11935497 0.74 PTGER4 (0.43) MAPK14PTGER4BTKPDE4APDE4B
SCHEMBL13439240 0.74 PTGER4 (0.43) MAPK14PTGER4BTKPDE4APDE4B
SCHEMBL13439159 0.73 MAPK14 (0.44) MAPK14PTGER4PDE4APDE4BPDE4C
SCHEMBL11935421 0.73 MAPK14 (0.44) MAPK14PTGER4PDE4APDE4BPDE4C
SCHEMBL11935512 0.72 MAPK14 (0.54) MAPK14PTGER4PDE4APDE4BPDE4C
SCHEMBL11935438 0.70 SMYD3 (0.48) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL13439170 0.70 SMYD3 (0.48) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL19224096 0.69 TAS1R3 (0.44) MMP8MMP1MMP2PKMALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (1 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R MAPK14 1624/4885PTGER4 935/4885BTK 1188/4885

“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.