SCHEMBL3494553

SCHEMBL3494553

CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NCc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.44
ENPP2 Q13822 8/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
MGLL Q99685 1/20 0.41
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL3492864 0.87 NAMPT (0.45) NAMPTJAK2JAK1
SCHEMBL3493133 0.86 NAMPT (0.47) NAMPTENPP2MGLL
SCHEMBL14155585 0.86 NAMPT (0.46) NAMPTENPP2MGLL
SCHEMBL3492907 0.86 JAK2 (0.47) JAK2JAK1MMP13ADAM17
SCHEMBL3490742 0.84 NAMPT (0.45) NAMPTENPP2MGLLMMP13ADAM17
SCHEMBL22719293 0.83 MGLL (0.43) JAK2JAK1MGLLMMP13ADAM17
SCHEMBL3661148 0.82 GPR119 (0.44) NAMPTMGLLMMP13ADAM17
SCHEMBL3494555 0.79 JAK2 (0.40) JAK2JAK1MMP13ADAM17
SCHEMBL14155596 0.79 NAMPT (0.45) NAMPTMMP13ADAM17
SCHEMBL26081084 0.78 MGLL (0.46) MGLLMMP13ADAM17

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 5 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

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 NAMPT 3072/4885ENPP2 1911/4885JAK2 66/4885

“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.