SCHEMBL3490746

SCHEMBL3490746

CC(C)(C)OC(=O)N1CCC(CN)(C(=O)Nc2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
ACHE P22303 1/20 0.43
MME P08473 1/20 0.43
POLB P06746 1/20 0.43
NOS2 P35228 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
KDR P35968 1/20 0.42
DTYMK P23919 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 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
SCHEMBL14155600 0.86 JAK2 (0.51) JAK2JAK1OPRD1OPRK1GPR119
SCHEMBL3494595 0.85 WNT3A (0.45) JAK2JAK1OPRD1OPRK1TSHR
SCHEMBL3492486 0.84 TDP1 (0.44) OPRD1OPRK1TSHRALDH1A1HTT
SCHEMBL3493398 0.84 JAK2 (0.51) JAK2JAK1OPRD1OPRK1GPR119
SCHEMBL3493446 0.83 SYK (0.54) JAK2JAK1OPRD1OPRK1ALDH1A1
SCHEMBL3490987 0.83 MAPT (0.46) JAK2JAK1GPR119
SCHEMBL3492076 0.81 JAK2 (0.53) JAK2JAK1OPRD1OPRK1GPR119
SCHEMBL3568047 0.79 PHGDH (0.54) JAK2JAK1GPR119ACHEPOLB
SCHEMBL8202505 0.79 ATM (0.49) JAK2JAK1OPRD1OPRK1GPR119
SCHEMBL28594093 0.79 JAK2 (0.48) JAK2JAK1OPRD1OPRK1GPR119

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 93/4885OPRD1 117/4885

“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.