SCHEMBL3492076

SCHEMBL3492076

CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)Nc2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.53
JAK1 P23458 6/20 0.53
GPR119 Q8TDV5 2/20 0.46
GRM5 P41594 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 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
SCHEMBL3494561 0.85 F13A1 (0.46) JAK2JAK1GPR119TSHRF13A1
SCHEMBL3492228 0.84 F13A1 (0.46) JAK2JAK1POLBF13A1TGM2
SCHEMBL3493778 0.84 JAK2 (0.53) JAK2JAK1GPR119F13A1TGM2
SCHEMBL14155600 0.84 JAK2 (0.51) JAK2JAK1GPR119GRM5POLB
SCHEMBL3494863 0.83 ALDH1A1 (0.50) ATMALDH1A1HTT
SCHEMBL3494176 0.83 SYK (0.52) JAK2JAK1GPR119
SCHEMBL3493368 0.83 MAPT (0.46) JAK2JAK1GPR119F13A1TGM2
SCHEMBL3490746 0.81 JAK2 (0.51) JAK2JAK1GPR119POLBTSHR
SCHEMBL3568047 0.79 PHGDH (0.54) JAK2JAK1GPR119GRM5POLB
SCHEMBL8202505 0.79 ATM (0.49) JAK2JAK1GPR119POLBTSHR

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 JAK2 66/4885JAK1 93/4885GPR119 570/4885

“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.