SCHEMBL3493446

SCHEMBL3493446

CC(C)(C)OC(=O)N1CCC(CN)(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.54
JAK1 P23458 7/20 0.44
JAK2 O60674 6/20 0.44
TACR1 P25103 1/20 0.43
MAPT P10636 1/20 0.42
USP30 Q70CQ3 1/20 0.42
RIOK2 Q9BVS4 1/20 0.42
AR P10275 1/20 0.41
PHGDH O43175 1/20 0.41
WNT3A P56704 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL14155633 0.87 SYK (0.54) SYKJAK1JAK2TACR1MAPT
SCHEMBL3490987 0.87 MAPT (0.46) SYKJAK1JAK2TACR1MAPT
SCHEMBL3494465 0.86 PHGDH (0.44) SYKUSP30RIOK2PHGDHALDH1A1
SCHEMBL3494231 0.84 SYK (0.47) SYKJAK1JAK2TACR1MAPT
SCHEMBL3490746 0.83 JAK2 (0.51) JAK1JAK2ALDH1A1OPRD1OPRK1
SCHEMBL3494176 0.83 SYK (0.52) SYKJAK1JAK2TACR1MAPT
SCHEMBL3493398 0.81 JAK2 (0.51) JAK1JAK2WNT3AHDAC1HDAC2
SCHEMBL3494595 0.79 WNT3A (0.45) SYKJAK1JAK2MAPTWNT3A
SCHEMBL3492486 0.79 TDP1 (0.44) MAPTWNT3AALDH1A1L3MBTL1OPRD1
SCHEMBL3493256 0.78 MMP13 (0.45) JAK1JAK2TACR1MAPTWNT3A

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 SYK 852/4885JAK1 93/4885JAK2 66/4885

“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.