SCHEMBL3494465

SCHEMBL3494465

NCC1(C(=O)Nc2cc(C(F)(F)F)ccn2)CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.44
USP30 Q70CQ3 1/20 0.44
RIOK2 Q9BVS4 1/20 0.43
NR3C2 P08235 2/20 0.42
SYK P43405 3/20 0.40
BTK Q06187 5/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1C Q13936 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAP3K12 Q12852 4/20 0.39
DLK1 P80370 1/20 0.39
KIF11 P52732 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
SCHEMBL3493446 0.86 SYK (0.54) PHGDHUSP30RIOK2SYKALDH1A1
SCHEMBL3494267 0.85 HIF1A (0.47)
SCHEMBL3493084 0.83 RIOK2 (0.43) PHGDHUSP30RIOK2NR3C2SYK
SCHEMBL3493858 0.81 USP30 (0.48) PHGDHUSP30RIOK2BTKMAP3K12
SCHEMBL3491790 0.79 AKT2 (0.56)
SCHEMBL13369028 0.77 AKT1S1 (0.49) PHGDHUSP30MAP3K12
SCHEMBL3495308 0.77 NAMPT (0.39)
SCHEMBL3490712 0.75 TRPV1 (0.44) USP30
SCHEMBL3494822 0.74 RAB9A (0.47) ALDH1A1GAAL3MBTL1
SCHEMBL3495082 0.74 L3MBTL1 (0.47) ALDH1A1GAAL3MBTL1

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 PHGDH 1482/4885USP30 3989/4885RIOK2 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.