SCHEMBL3493398

SCHEMBL3493398

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.51
JAK1 P23458 5/20 0.51
HDAC2 Q92769 2/20 0.48
HDAC1 Q13547 1/20 0.48
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
WNT3A P56704 2/20 0.42
NTRK1 P04629 1/20 0.41
CTPS1 P17812 1/20 0.41
NAMPT P43490 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL3494595 0.89 WNT3A (0.45) JAK2JAK1HDAC2HDAC1F13A1
SCHEMBL3490987 0.88 MAPT (0.46) JAK2JAK1HDAC2HDAC1F13A1
SCHEMBL3492486 0.88 TDP1 (0.44) F13A1TGM2TGM1WNT3ACTPS1
SCHEMBL3490746 0.84 JAK2 (0.51) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL3495308 0.84 NAMPT (0.39) JAK2JAK1NAMPTOPRD1OPRK1
SCHEMBL3493778 0.82 JAK2 (0.53) JAK2JAK1HDAC2HDAC1F13A1
SCHEMBL3493256 0.81 MMP13 (0.45) JAK2JAK1HDAC2HDAC1F13A1
SCHEMBL3493446 0.81 SYK (0.54) JAK2JAK1HDAC2HDAC1WNT3A
SCHEMBL31417126 0.79 JAK2 (0.48) JAK2JAK1HDAC2HDAC1NAMPT
SCHEMBL3492714 0.76 TRPA1 (0.38) JAK2JAK1HDAC2HDAC1NAMPT

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 JAK2 66/4885JAK1 93/4885HDAC2 1418/4885

“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.