SCHEMBL3493256

SCHEMBL3493256

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.45
ADAM17 P78536 3/20 0.45
MMP2 P08253 2/20 0.45
MMP14 P50281 1/20 0.45
JAK2 O60674 6/20 0.44
JAK1 P23458 6/20 0.44
MAPT P10636 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
EPHX2 P34913 1/20 0.42
TGM2 P21980 4/20 0.41
F13A1 P00488 3/20 0.41
TGM1 P22735 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
WNT3A P56704 1/20 0.40
TACR1 P25103 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
SCHEMBL3490712 0.86 TRPV1 (0.44) TRPV1EPHX2
SCHEMBL3490742 0.86 NAMPT (0.45) MMP13ADAM17MMP2MMP14
SCHEMBL3492907 0.83 JAK2 (0.47) MMP13ADAM17MMP2MMP14JAK2
SCHEMBL3490987 0.82 MAPT (0.46) JAK2JAK1MAPTTRPV1HDAC1
SCHEMBL3493398 0.81 JAK2 (0.51) MMP13ADAM17JAK2JAK1HDAC1
SCHEMBL14155596 0.80 NAMPT (0.45) MMP13ADAM17MMP2MMP14MEN1
SCHEMBL3490744 0.80 MMP13 (0.42) MMP13ADAM17MMP2MMP14JAK2
SCHEMBL3493446 0.78 SYK (0.54) JAK2JAK1MAPTHDAC1HDAC2
SCHEMBL3494595 0.78 WNT3A (0.45) MMP13ADAM17JAK2JAK1MAPT
SCHEMBL30328707 0.78 P2RX7 (0.44) TRPV1MEN1TSHRKMT2ATACR1

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 MMP13 4272/4885ADAM17 4874/4885MMP2 3384/4885

“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.