SCHEMBL3490744

SCHEMBL3490744

CN(C(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.42
ADAM17 P78536 4/20 0.42
TGM2 P21980 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
GPR119 Q8TDV5 8/20 0.38
TACR1 P25103 1/20 0.37
IDH1 O75874 1/20 0.37
IDH2 P48735 1/20 0.37
RORC P51449 1/20 0.37
MMP2 P08253 2/20 0.37
USP30 Q70CQ3 1/20 0.37
MMP14 P50281 1/20 0.37

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
SCHEMBL3492751 0.87 GPBAR1 (0.36) USP30
SCHEMBL3494555 0.83 JAK2 (0.40) MMP13ADAM17TGM2JAK2JAK1
SCHEMBL3493256 0.80 MMP13 (0.45) MMP13ADAM17TGM2JAK2JAK1
SCHEMBL3490742 0.79 NAMPT (0.45) MMP13ADAM17MMP2MMP14
SCHEMBL14155596 0.74 NAMPT (0.45) MMP13ADAM17GPR119MMP2MMP14
SCHEMBL27196781 0.73 SYK (0.45) TGM2OPRD1OPRK1GPR119TACR1
SCHEMBL26081084 0.73 MGLL (0.46) MMP13ADAM17OPRD1OPRK1GPR119
SCHEMBL26081086 0.72 IDH1 (0.43) TGM2GPR119TACR1IDH1IDH2
SCHEMBL30328592 0.72 GPR119 (0.50) GPR119
SCHEMBL3490987 0.71 MAPT (0.46) TGM2JAK2JAK1GPR119TACR1

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 3 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
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 MMP13 4272/4885ADAM17 4874/4885TGM2 821/4885

“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.