SCHEMBL3492907

SCHEMBL3492907

CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)Nc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.47
JAK1 P23458 11/20 0.47
USP30 Q70CQ3 2/20 0.45
MAPT P10636 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
TGM2 P21980 3/20 0.42
F13A1 P00488 2/20 0.42
TGM1 P22735 1/20 0.42
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 2/20 0.41
MMP14 P50281 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
SCHEMBL3494553 0.86 NAMPT (0.44) JAK2JAK1MMP13ADAM17
SCHEMBL3492949 0.86 USP30 (0.48) JAK2JAK1USP30TRPV1
SCHEMBL3493256 0.83 MMP13 (0.45) JAK2JAK1MAPTTRPV1TGM2
SCHEMBL3493368 0.82 MAPT (0.46) JAK2JAK1MAPTTRPV1TGM2
SCHEMBL3493778 0.82 JAK2 (0.53) JAK2JAK1TGM2F13A1TGM1
SCHEMBL2779131 0.81 STS (0.49) JAK2JAK1MAPTTGM2F13A1
SCHEMBL3494555 0.81 JAK2 (0.40) JAK2JAK1USP30TGM2MMP13
SCHEMBL22719293 0.79 MGLL (0.43) JAK2JAK1MMP13ADAM17
SCHEMBL3494176 0.79 SYK (0.52) JAK2JAK1USP30MAPT
SCHEMBL3494561 0.79 F13A1 (0.46) JAK2JAK1MAPTTGM2F13A1

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 93/4885USP30 3989/4885

“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.