SCHEMBL3490987

SCHEMBL3490987

CC(C)(C)OC(=O)N1CCC(CN)(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
SYK P43405 2/20 0.44
TRPV1 Q8NER1 4/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
TACR1 P25103 1/20 0.42
EPHX2 P34913 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS1 P23219 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NPY5R Q15761 1/20 0.41
WNT3A P56704 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL3493398 0.88 JAK2 (0.51) F13A1TGM2TGM1WNT3AJAK2
SCHEMBL3494595 0.87 WNT3A (0.45) MAPTSYKF13A1TGM2TGM1
SCHEMBL14155677 0.87 MAPT (0.48) MAPTSYKTRPV1HIF1AEPAS1
SCHEMBL3493446 0.87 SYK (0.54) MAPTSYKTACR1WNT3AJAK2
SCHEMBL3492486 0.86 TDP1 (0.44) MAPTF13A1TGM2TGM1SMN1; SMN2
SCHEMBL3494267 0.86 HIF1A (0.47) TRPV1HIF1AEPAS1EPHX2PTGS1
SCHEMBL3490746 0.83 JAK2 (0.51) JAK2JAK1GPR119
SCHEMBL3493368 0.82 MAPT (0.46) MAPTSYKTRPV1HIF1AEPAS1
SCHEMBL3493256 0.82 MMP13 (0.45) MAPTTRPV1F13A1TGM2TGM1
SCHEMBL3491659 0.78 PTGS1 (0.49) TRPV1HIF1AEPAS1PTGS1NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO 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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 MAPT 3976/4885SYK 852/4885TRPV1 1203/4885

“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.