SCHEMBL3490738

SCHEMBL3490738

CC(C)(C)OC(=O)NCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HCRTR2 O43614 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL29215669 0.92 CYP4F2 (0.40) USP2SMN1; SMN2KDM4EPKMTSHR
SCHEMBL3491874 0.85 ALDH1A1 (0.44) USP2SMN1; SMN2PKMEPHX2TSHR
SCHEMBL335137 0.85 TDP1 (0.46) TSHRALDH1A1MEN1KMT2AHCRTR2
SCHEMBL1446859 0.84 MEN1 (0.48) KDM4EPKMMEN1KMT2A
SCHEMBL21930398 0.82 MEN1 (0.41) TSHRALDH1A1MEN1KMT2AHCRTR2
SCHEMBL7609309 0.82 MEN1 (0.41) TSHRALDH1A1MEN1KMT2AHCRTR2
SCHEMBL7303096 0.81 USP2 (0.47) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL6803134 0.81 EPHX1 (0.42) TSHRALDH1A1MEN1KMT2AHCRTR2
SCHEMBL965651 0.81 USP2 (0.51) USP2SMN1; SMN2EPHX2TSHRALOX15
SCHEMBL1978460 0.81 USP2 (0.42) USP2SMN1; SMN2KDM4EPKMEPHX2

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 7 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
CN-101627042-A Substituted piperidines containing a heteroarylamide or heteroarylphenyl moiety ASTEX THERAPEUTICS LTD 2010-01-13 CN 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 USP2 3455/4885SMN1; SMN2 3995/4885KDM4E 3386/4885

“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.