SCHEMBL3494231

SCHEMBL3494231

CC(C)(C)OC(=O)N1CCC(CN=C(c2ccccc2)c2ccccc2)(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
TACR1 P25103 1/20 0.44
RIOK2 Q9BVS4 1/20 0.41
ACHE P22303 1/20 0.39
JAK1 P23458 4/20 0.39
JAK2 O60674 3/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PHGDH O43175 2/20 0.38
USP30 Q70CQ3 1/20 0.38
MAP3K12 Q12852 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
CHRM4 P08173 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
SCHEMBL3493084 0.89 RIOK2 (0.43) SYKRIOK2PHGDHUSP30MAP3K12
SCHEMBL4439317 0.88 RIOK2 (0.43) SYKRIOK2PHGDHUSP30MAP3K12
SCHEMBL3493446 0.84 SYK (0.54) SYKTACR1RIOK2JAK1JAK2
SCHEMBL3492019 0.82 WNT3A (0.41) OPRD1OPRK1KDM4EPKM
SCHEMBL3491626 0.82 RIOK2 (0.44) SYKTACR1RIOK2PHGDHUSP30
SCHEMBL14155633 0.79 SYK (0.54) SYKTACR1RIOK2JAK1JAK2
SCHEMBL14155673 0.78 KDM4E (0.47) TACR1JAK1JAK2OPRD1OPRK1
SCHEMBL3493470 0.77 AKT2 (0.49)
SCHEMBL30328901 0.77 TACR1 (0.47) SYKTACR1RIOK2ACHEOPRD1
SCHEMBL3494176 0.77 SYK (0.52) SYKTACR1JAK1JAK2PHGDH

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 852/4885TACR1 921/4885RIOK2 1174/4885

“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.